5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole

C19H35N — CID 14106263

IUPAC5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCC1=NC(CCCCCCCCC)CC1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h4,19H,2-3,5-17H2,1H3
InChIKeyNNAFMHTUNBLVDA-UHFFFAOYSA-N
MW277.50 g/mol
LogP6.48
Rot. Bonds13

About 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole

5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole (PubChem CID 14106263) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
PubChem CID14106263
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCC1=NC(CCCCCCCCC)CC1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h4,19H,2-3,5-17H2,1H3
InChIKeyNNAFMHTUNBLVDA-UHFFFAOYSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole (CID 14106263) is 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole is C=CCCCCC1=NC(CCCCCCCCC)CC1.
What is the InChIKey of 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole?
The InChIKey is NNAFMHTUNBLVDA-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/h4,19H,2-3,5-17H2,1H3.
What are the key properties of 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole?
5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole has a molecular weight of 277.50 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 14106263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).