1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one

C9H15NO — CID 165464901

IUPAC1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one
SMILESC=CCC(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C9H15NO/c1-2-4-9(11)7-5-3-6-8(7)10/h2,7-8H,1,3-6,10H2/t7-,8+/m0/s1
InChIKeyJZMBXBPZTOZGCM-JGVFFNPUSA-N
MW153.23 g/mol
LogP1.26
Rot. Bonds3

About 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one

1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one (PubChem CID 165464901) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one
PubChem CID165464901
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one
SMILESC=CCC(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C9H15NO/c1-2-4-9(11)7-5-3-6-8(7)10/h2,7-8H,1,3-6,10H2/t7-,8+/m0/s1
InChIKeyJZMBXBPZTOZGCM-JGVFFNPUSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.26
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-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
CID 116584185
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
1-[(2S,3R)-3-aminooxolan-2-yl]but-3-en-1-one
CID 165467410
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-(2-aminocyclopentyl)pent-4-yn-1-one
CID 116580266
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
2-(2-aminocyclopentyl)prop-2-enamide
CID 134601795
2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
CID 106398080

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one?
The IUPAC name of 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one (CID 165464901) is 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one?
The canonical SMILES for 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one is C=CCC(=O)[C@H]1CCC[C@H]1N.
What is the InChIKey of 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one?
The InChIKey is JZMBXBPZTOZGCM-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-9(11)7-5-3-6-8(7)10/h2,7-8H,1,3-6,10H2/t7-,8+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one?
1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one has a molecular weight of 153.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one is sourced from PubChem (CID 165464901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).