1-[(E)-1-cyclohexylnon-2-enyl]pyrrole

C19H31N — CID 73456673

IUPAC1-[(E)-1-cyclohexylnon-2-enyl]pyrrole
SMILESCCCCCC/C=C/C(C1CCCCC1)n1cccc1
InChIInChI=1S/C19H31N/c1-2-3-4-5-6-10-15-19(20-16-11-12-17-20)18-13-8-7-9-14-18/h10-12,15-19H,2-9,13-14H2,1H3/b15-10+
InChIKeyUJICWGGAWPGCDE-XNTDXEJSSA-N
MW273.46 g/mol
LogP6.14
Rot. Bonds8

About 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole

1-[(E)-1-cyclohexylnon-2-enyl]pyrrole (PubChem CID 73456673) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole.

Molecular Properties

Compound Name1-[(E)-1-cyclohexylnon-2-enyl]pyrrole
PubChem CID73456673
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-[(E)-1-cyclohexylnon-2-enyl]pyrrole
SMILESCCCCCC/C=C/C(C1CCCCC1)n1cccc1
InChIInChI=1S/C19H31N/c1-2-3-4-5-6-10-15-19(20-16-11-12-17-20)18-13-8-7-9-14-18/h10-12,15-19H,2-9,13-14H2,1H3/b15-10+
InChIKeyUJICWGGAWPGCDE-XNTDXEJSSA-N
XLogP6.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.14
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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Related Compounds

[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
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1-oct-1-enoxypropylcyclohexane
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1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
non-1-enylcyclopentane
CID 86065492
(3E,5Z)-1-cyclohexyloxyhexadeca-3,5-dien-2-ol
CID 59882927
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
(E)-1-cyclohexylnon-2-en-1-one
CID 101268204
1-cyclopropylpentylcycloheptane
CID 91177068
hexadecan-8-ylcyclohexane
CID 91510029
butan-2-ylcyclohexane;heptane
CID 143477095
[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate
CID 10734137

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole?
The IUPAC name of 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole (CID 73456673) is 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole.
What is the SMILES notation for 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole?
The canonical SMILES for 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole is CCCCCC/C=C/C(C1CCCCC1)n1cccc1.
What is the InChIKey of 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole?
The InChIKey is UJICWGGAWPGCDE-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H31N/c1-2-3-4-5-6-10-15-19(20-16-11-12-17-20)18-13-8-7-9-14-18/h10-12,15-19H,2-9,13-14H2,1H3/b15-10+.
What are the key properties of 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole?
1-[(E)-1-cyclohexylnon-2-enyl]pyrrole has a molecular weight of 273.46 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-cyclohexylnon-2-enyl]pyrrole is sourced from PubChem (CID 73456673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).