4-(1-aminocyclopentyl)butan-2-one

C9H17NO — CID 59453961

IUPAC4-(1-aminocyclopentyl)butan-2-one
SMILESCC(=O)CCC1(N)CCCC1
InChIInChI=1S/C9H17NO/c1-8(11)4-7-9(10)5-2-3-6-9/h2-7,10H2,1H3
InChIKeyKJHLCQTUXXOHKA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About 4-(1-aminocyclopentyl)butan-2-one

4-(1-aminocyclopentyl)butan-2-one (PubChem CID 59453961) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(1-aminocyclopentyl)butan-2-one.

Molecular Properties

Compound Name4-(1-aminocyclopentyl)butan-2-one
PubChem CID59453961
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(1-aminocyclopentyl)butan-2-one
SMILESCC(=O)CCC1(N)CCCC1
InChIInChI=1S/C9H17NO/c1-8(11)4-7-9(10)5-2-3-6-9/h2-7,10H2,1H3
InChIKeyKJHLCQTUXXOHKA-UHFFFAOYSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-acetylcyclopentyl)butan-2-one
CID 123974619
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
azane;1-propylcyclopentan-1-amine
CID 118268242
4-(1-methoxycyclopropyl)butan-2-one
CID 118668806
1-butylcyclohexan-1-amine
CID 13182498
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
4-(3-oxobutyl)oxane-4-carboxamide
CID 143045397
(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
CID 79337036
hexane-2,5-dione
CID 8035
(1-aminocyclopentyl)methanol
CID 157241161
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopentyl)butan-2-one?
The IUPAC name of 4-(1-aminocyclopentyl)butan-2-one (CID 59453961) is 4-(1-aminocyclopentyl)butan-2-one.
What is the SMILES notation for 4-(1-aminocyclopentyl)butan-2-one?
The canonical SMILES for 4-(1-aminocyclopentyl)butan-2-one is CC(=O)CCC1(N)CCCC1.
What is the InChIKey of 4-(1-aminocyclopentyl)butan-2-one?
The InChIKey is KJHLCQTUXXOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)4-7-9(10)5-2-3-6-9/h2-7,10H2,1H3.
What are the key properties of 4-(1-aminocyclopentyl)butan-2-one?
4-(1-aminocyclopentyl)butan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopentyl)butan-2-one is sourced from PubChem (CID 59453961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).