ethane;2-methylidene-3,4-dihydropyrrole

C9H19N — CID 123232462

IUPACethane;2-methylidene-3,4-dihydropyrrole
SMILESC=C1CCC=N1.CC.CC
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyTXSYKGBMHZSYRL-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.42
Rot. Bonds

About ethane;2-methylidene-3,4-dihydropyrrole

ethane;2-methylidene-3,4-dihydropyrrole (PubChem CID 123232462) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;2-methylidene-3,4-dihydropyrrole.

Molecular Properties

Compound Nameethane;2-methylidene-3,4-dihydropyrrole
PubChem CID123232462
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;2-methylidene-3,4-dihydropyrrole
SMILESC=C1CCC=N1.CC.CC
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyTXSYKGBMHZSYRL-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3,4-dihydropyrrole?
The IUPAC name of ethane;2-methylidene-3,4-dihydropyrrole (CID 123232462) is ethane;2-methylidene-3,4-dihydropyrrole.
What is the SMILES notation for ethane;2-methylidene-3,4-dihydropyrrole?
The canonical SMILES for ethane;2-methylidene-3,4-dihydropyrrole is C=C1CCC=N1.CC.CC.
What is the InChIKey of ethane;2-methylidene-3,4-dihydropyrrole?
The InChIKey is TXSYKGBMHZSYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h4H,1-3H2;2*1-2H3.
What are the key properties of ethane;2-methylidene-3,4-dihydropyrrole?
ethane;2-methylidene-3,4-dihydropyrrole has a molecular weight of 141.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3,4-dihydropyrrole is sourced from PubChem (CID 123232462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).