5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole

C11H17N — CID 141149808

IUPAC5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole
SMILESC1=CC(CC2=NCCC2)CCC1
InChIInChI=1S/C11H17N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,10H,1,3-4,6-9H2
InChIKeySSUODRDWPDKXTP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds2

About 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole

5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 141149808) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole
PubChem CID141149808
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole
SMILESC1=CC(CC2=NCCC2)CCC1
InChIInChI=1S/C11H17N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,10H,1,3-4,6-9H2
InChIKeySSUODRDWPDKXTP-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6445873
CID 6445873
Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole (CID 141149808) is 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole is C1=CC(CC2=NCCC2)CCC1.
What is the InChIKey of 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is SSUODRDWPDKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,10H,1,3-4,6-9H2.
What are the key properties of 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole?
5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-2-en-1-ylmethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 141149808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).