2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole

C13H21N — CID 58902695

IUPAC2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole
SMILESC=C1CCC(N2C(C)C=CC2C)CC1
InChIInChI=1S/C13H21N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h6-7,11-13H,1,4-5,8-9H2,2-3H3
InChIKeyBZXOOJSISOYEOP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.13
Rot. Bonds1

About 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole

2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole (PubChem CID 58902695) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole
PubChem CID58902695
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole
SMILESC=C1CCC(N2C(C)C=CC2C)CC1
InChIInChI=1S/C13H21N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h6-7,11-13H,1,4-5,8-9H2,2-3H3
InChIKeyBZXOOJSISOYEOP-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole?
The IUPAC name of 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole (CID 58902695) is 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole?
The canonical SMILES for 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole is C=C1CCC(N2C(C)C=CC2C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole?
The InChIKey is BZXOOJSISOYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h6-7,11-13H,1,4-5,8-9H2,2-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole?
2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole is sourced from PubChem (CID 58902695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).