2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine

C23H29N — CID 139469841

IUPAC2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine
SMILESC=CCC(/C(C1=NC=CCC1)=C1/C=CC=CC1)C1(C=CC)CC1C
InChIInChI=1S/C23H29N/c1-4-11-20(23(15-5-2)17-18(23)3)22(19-12-7-6-8-13-19)21-14-9-10-16-24-21/h4-8,10,12,15-16,18,20H,1,9,11,13-14,17H2,2-3H3/b15-5?,22-19+
InChIKeyDDBHISZMCBHQSO-YBYGVFLPSA-N
MW319.49 g/mol
LogP6.34
Rot. Bonds6

About 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine

2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine (PubChem CID 139469841) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine
PubChem CID139469841
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine
SMILESC=CCC(/C(C1=NC=CCC1)=C1/C=CC=CC1)C1(C=CC)CC1C
InChIInChI=1S/C23H29N/c1-4-11-20(23(15-5-2)17-18(23)3)22(19-12-7-6-8-13-19)21-14-9-10-16-24-21/h4-8,10,12,15-16,18,20H,1,9,11,13-14,17H2,2-3H3/b15-5?,22-19+
InChIKeyDDBHISZMCBHQSO-YBYGVFLPSA-N
XLogP6.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.34
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-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine?
The IUPAC name of 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine (CID 139469841) is 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine.
What is the SMILES notation for 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine?
The canonical SMILES for 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine is C=CCC(/C(C1=NC=CCC1)=C1/C=CC=CC1)C1(C=CC)CC1C.
What is the InChIKey of 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine?
The InChIKey is DDBHISZMCBHQSO-YBYGVFLPSA-N. The full InChI is InChI=1S/C23H29N/c1-4-11-20(23(15-5-2)17-18(23)3)22(19-12-7-6-8-13-19)21-14-9-10-16-24-21/h4-8,10,12,15-16,18,20H,1,9,11,13-14,17H2,2-3H3/b15-5?,22-19+.
What are the key properties of 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine?
2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine has a molecular weight of 319.49 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-2-(2-methyl-1-prop-1-enylcyclopropyl)pent-4-enyl]-3,4-dihydropyridine is sourced from PubChem (CID 139469841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).