ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole

C60H126N4 — CID 164958332

IUPACethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole
SMILESC=C1C=CCCC1.C=C1C=NCC1.C=C1C=NCCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H12.C7H10.2C6H9N.2C5H7N.12C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h1-6H2;3,5H,1-2,4,6H2;2*5H,1-4H2;2*4H,1-3H2;12*1-2H3
InChIKeyBMBGTLILRJXVCA-UHFFFAOYSA-N
MW903.70 g/mol
LogP22.65
Rot. Bonds

About ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole

ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole (PubChem CID 164958332) has the molecular formula C60H126N4 and a molecular weight of 903.70 g/mol. Its IUPAC name is ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Nameethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole
PubChem CID164958332
Molecular FormulaC60H126N4
Molecular Weight903.70 g/mol
Exact Mass903.00
IUPAC Nameethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole
SMILESC=C1C=CCCC1.C=C1C=NCC1.C=C1C=NCCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H12.C7H10.2C6H9N.2C5H7N.12C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h1-6H2;3,5H,1-2,4,6H2;2*5H,1-4H2;2*4H,1-3H2;12*1-2H3
InChIKeyBMBGTLILRJXVCA-UHFFFAOYSA-N
XLogP22.65
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.70
LogP ≤ 522.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole?
The IUPAC name of ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole (CID 164958332) is ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole.
What is the SMILES notation for ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole?
The canonical SMILES for ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole is C=C1C=CCCC1.C=C1C=NCC1.C=C1C=NCCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole?
The InChIKey is BMBGTLILRJXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C7H10.2C6H9N.2C5H7N.12C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h1-6H2;3,5H,1-2,4,6H2;2*5H,1-4H2;2*4H,1-3H2;12*1-2H3.
What are the key properties of ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole?
ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole has a molecular weight of 903.70 g/mol, XLogP of 22.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole is sourced from PubChem (CID 164958332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).