1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one

C10H17NO — CID 116584185

IUPAC1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
SMILESC=CCC(=O)C1CCCC1CN
InChIInChI=1S/C10H17NO/c1-2-4-10(12)9-6-3-5-8(9)7-11/h2,8-9H,1,3-7,11H2
InChIKeyAMNDEAJFKXFUPA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one

1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one (PubChem CID 116584185) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
PubChem CID116584185
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
SMILESC=CCC(=O)C1CCCC1CN
InChIInChI=1S/C10H17NO/c1-2-4-10(12)9-6-3-5-8(9)7-11/h2,8-9H,1,3-7,11H2
InChIKeyAMNDEAJFKXFUPA-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one
CID 165464901
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-(aminomethyl)-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
CID 115747690
1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
CID 116584347
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
1-[2-(aminomethyl)cyclohexyl]pent-3-yn-1-one
CID 116584514
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
1-[2-(aminomethyl)cyclohexyl]-3-methylsulfonylpropan-1-one
CID 116584697
1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
CID 116584632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one (CID 116584185) is 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one is C=CCC(=O)C1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one?
The InChIKey is AMNDEAJFKXFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-4-10(12)9-6-3-5-8(9)7-11/h2,8-9H,1,3-7,11H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one?
1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one is sourced from PubChem (CID 116584185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).