1-(3-aminocyclohexyl)pent-4-en-1-one

C11H19NO — CID 116568806

IUPAC1-(3-aminocyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19NO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,9-10H,1,3-8,12H2
InChIKeyWACAAVVABCRFIF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-aminocyclohexyl)pent-4-en-1-one

1-(3-aminocyclohexyl)pent-4-en-1-one (PubChem CID 116568806) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)pent-4-en-1-one
PubChem CID116568806
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-aminocyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19NO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,9-10H,1,3-8,12H2
InChIKeyWACAAVVABCRFIF-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-methylcyclohexyl)pent-4-en-1-one
CID 143043264
1-(9-azabicyclo[3.3.1]nonan-3-yl)pent-4-en-1-one
CID 171938408
1-[(1S,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178194048
1-[(1R,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178190936
1-(3-methylcyclopentyl)pent-4-en-1-one
CID 65403175
1-(3-aminocyclohexyl)-3-methylbut-3-en-1-one
CID 116568965
1-(3-aminocyclohexyl)-3-methylidenepentan-1-one
CID 116569028
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
4-pent-4-enoylazepan-2-one
CID 67914890
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
1-(3-aminocyclopentyl)butan-1-one
CID 116587099

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)pent-4-en-1-one?
The IUPAC name of 1-(3-aminocyclohexyl)pent-4-en-1-one (CID 116568806) is 1-(3-aminocyclohexyl)pent-4-en-1-one.
What is the SMILES notation for 1-(3-aminocyclohexyl)pent-4-en-1-one?
The canonical SMILES for 1-(3-aminocyclohexyl)pent-4-en-1-one is C=CCCC(=O)C1CCCC(N)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)pent-4-en-1-one?
The InChIKey is WACAAVVABCRFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,9-10H,1,3-8,12H2.
What are the key properties of 1-(3-aminocyclohexyl)pent-4-en-1-one?
1-(3-aminocyclohexyl)pent-4-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)pent-4-en-1-one is sourced from PubChem (CID 116568806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).