1-(1-aminocyclopentyl)-3-phenylpropan-2-one

C14H19NO — CID 116578581

IUPAC1-(1-aminocyclopentyl)-3-phenylpropan-2-one
SMILESNC1(CC(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO/c15-14(8-4-5-9-14)11-13(16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyWRETWKLCKDZBKD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.46
Rot. Bonds4

About 1-(1-aminocyclopentyl)-3-phenylpropan-2-one

1-(1-aminocyclopentyl)-3-phenylpropan-2-one (PubChem CID 116578581) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-3-phenylpropan-2-one
PubChem CID116578581
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-aminocyclopentyl)-3-phenylpropan-2-one
SMILESNC1(CC(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO/c15-14(8-4-5-9-14)11-13(16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyWRETWKLCKDZBKD-UHFFFAOYSA-N
XLogP2.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
CID 116591276
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103042612
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-3-phenylpropan-2-one?
The IUPAC name of 1-(1-aminocyclopentyl)-3-phenylpropan-2-one (CID 116578581) is 1-(1-aminocyclopentyl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(1-aminocyclopentyl)-3-phenylpropan-2-one is NC1(CC(=O)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-3-phenylpropan-2-one?
The InChIKey is WRETWKLCKDZBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(8-4-5-9-14)11-13(16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2.
What are the key properties of 1-(1-aminocyclopentyl)-3-phenylpropan-2-one?
1-(1-aminocyclopentyl)-3-phenylpropan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-3-phenylpropan-2-one is sourced from PubChem (CID 116578581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).