2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole

C22H32ClN — CID 123482605

IUPAC2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC=CC1C=CC(C2CC=NC2C2CCC=C(Cl)C2)CC1C(C)C
InChIInChI=1S/C22H32ClN/c1-4-6-16-9-10-17(14-21(16)15(2)3)20-11-12-24-22(20)18-7-5-8-19(23)13-18/h4,6,8-10,12,15-18,20-22H,5,7,11,13-14H2,1-3H3
InChIKeyYBPAPYDRVHMZTF-UHFFFAOYSA-N
MW345.96 g/mol
LogP6.41
Rot. Bonds4

About 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole

2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 123482605) has the molecular formula C22H32ClN and a molecular weight of 345.96 g/mol. Its IUPAC name is 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole
PubChem CID123482605
Molecular FormulaC22H32ClN
Molecular Weight345.96 g/mol
Exact Mass345.22
IUPAC Name2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC=CC1C=CC(C2CC=NC2C2CCC=C(Cl)C2)CC1C(C)C
InChIInChI=1S/C22H32ClN/c1-4-6-16-9-10-17(14-21(16)15(2)3)20-11-12-24-22(20)18-7-5-8-19(23)13-18/h4,6,8-10,12,15-18,20-22H,5,7,11,13-14H2,1-3H3
InChIKeyYBPAPYDRVHMZTF-UHFFFAOYSA-N
XLogP6.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.96
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

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(5R)-5-[(2E)-3-chloro-3-methyl-2-prop-2-enylidenehexyl]-2-methyl-3-propan-2-yl-2,3,4,5-tetrahydropyridine
CID 173805497

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole (CID 123482605) is 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole is CC=CC1C=CC(C2CC=NC2C2CCC=C(Cl)C2)CC1C(C)C.
What is the InChIKey of 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is YBPAPYDRVHMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN/c1-4-6-16-9-10-17(14-21(16)15(2)3)20-11-12-24-22(20)18-7-5-8-19(23)13-18/h4,6,8-10,12,15-18,20-22H,5,7,11,13-14H2,1-3H3.
What are the key properties of 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole?
2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 345.96 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123482605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).