1-(1-aminocyclopentyl)pent-4-en-2-one

C10H17NO — CID 116578589

IUPAC1-(1-aminocyclopentyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(N)CCCC1
InChIInChI=1S/C10H17NO/c1-2-5-9(12)8-10(11)6-3-4-7-10/h2H,1,3-8,11H2
InChIKeyFOQVVUYECZZWLW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.79
Rot. Bonds4

About 1-(1-aminocyclopentyl)pent-4-en-2-one

1-(1-aminocyclopentyl)pent-4-en-2-one (PubChem CID 116578589) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)pent-4-en-2-one
PubChem CID116578589
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-aminocyclopentyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(N)CCCC1
InChIInChI=1S/C10H17NO/c1-2-5-9(12)8-10(11)6-3-4-7-10/h2H,1,3-8,11H2
InChIKeyFOQVVUYECZZWLW-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.79
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

1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
CID 79263851
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
nona-1,8-diene-4,6-dione
CID 88861984
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)pent-4-en-2-one?
The IUPAC name of 1-(1-aminocyclopentyl)pent-4-en-2-one (CID 116578589) is 1-(1-aminocyclopentyl)pent-4-en-2-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)pent-4-en-2-one?
The canonical SMILES for 1-(1-aminocyclopentyl)pent-4-en-2-one is C=CCC(=O)CC1(N)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)pent-4-en-2-one?
The InChIKey is FOQVVUYECZZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-9(12)8-10(11)6-3-4-7-10/h2H,1,3-8,11H2.
What are the key properties of 1-(1-aminocyclopentyl)pent-4-en-2-one?
1-(1-aminocyclopentyl)pent-4-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)pent-4-en-2-one is sourced from PubChem (CID 116578589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).