2-hex-1-enyl-5-nonylidenepyrrolidine

C19H35N — CID 163192432

IUPAC2-hex-1-enyl-5-nonylidenepyrrolidine
SMILESCCCCC=CC1CCC(=CCCCCCCCC)N1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-15,18,20H,3-11,13,16-17H2,1-2H3
InChIKeySMKCOPXIHGGFTR-UHFFFAOYSA-N
MW277.50 g/mol
LogP6.12
Rot. Bonds11

About 2-hex-1-enyl-5-nonylidenepyrrolidine

2-hex-1-enyl-5-nonylidenepyrrolidine (PubChem CID 163192432) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-hex-1-enyl-5-nonylidenepyrrolidine.

Molecular Properties

Compound Name2-hex-1-enyl-5-nonylidenepyrrolidine
PubChem CID163192432
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-hex-1-enyl-5-nonylidenepyrrolidine
SMILESCCCCC=CC1CCC(=CCCCCCCCC)N1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-15,18,20H,3-11,13,16-17H2,1-2H3
InChIKeySMKCOPXIHGGFTR-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Hexenyl)-5-(8-nonenyl)pyrrolidine
CID 180889
2-Hex-5-enyl-5-nonylpyrrolidine
CID 180891
2-Hexenyl-5-nonyl-pyrrolidine
CID 57202270
2-Ethyl-5-(12-tridecenyl)pyrrolidine
CID 370505
2-Heptyl-5-(5-hexenyl)pyrrolidine
CID 592536
trans-2-(1-Hex-5-enyl)-5-(1-non-8-enyl) pyrrolidine
CID 129775854
trans-2-Butyl-5-(8-nonenyl)pyrrolidine
CID 129776162
2-Hexenyl-5-nonyl-pyrroline
CID 129866570
2-Hexenyl-5-heptyl pyrrolidine
CID 57136831
2,5-Di(non-8-enyl)pyrrolidine
CID 180890
2-[(E)-hex-1-enyl]-5-pentylpyrrolidine
CID 20342235
5-octyl-2,3-dihydro-1H-pyrrole
CID 141242696

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enyl-5-nonylidenepyrrolidine?
The IUPAC name of 2-hex-1-enyl-5-nonylidenepyrrolidine (CID 163192432) is 2-hex-1-enyl-5-nonylidenepyrrolidine.
What is the SMILES notation for 2-hex-1-enyl-5-nonylidenepyrrolidine?
The canonical SMILES for 2-hex-1-enyl-5-nonylidenepyrrolidine is CCCCC=CC1CCC(=CCCCCCCCC)N1.
What is the InChIKey of 2-hex-1-enyl-5-nonylidenepyrrolidine?
The InChIKey is SMKCOPXIHGGFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-15,18,20H,3-11,13,16-17H2,1-2H3.
What are the key properties of 2-hex-1-enyl-5-nonylidenepyrrolidine?
2-hex-1-enyl-5-nonylidenepyrrolidine has a molecular weight of 277.50 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enyl-5-nonylidenepyrrolidine is sourced from PubChem (CID 163192432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).