1-(1-aminocyclopentyl)-2-ethoxyethanone

C9H17NO2 — CID 116558697

IUPAC1-(1-aminocyclopentyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-7-8(11)9(10)5-3-4-6-9/h2-7,10H2,1H3
InChIKeyUKJZXNZUMGYEFO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.86
Rot. Bonds4

About 1-(1-aminocyclopentyl)-2-ethoxyethanone

1-(1-aminocyclopentyl)-2-ethoxyethanone (PubChem CID 116558697) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-ethoxyethanone
PubChem CID116558697
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1-aminocyclopentyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-7-8(11)9(10)5-3-4-6-9/h2-7,10H2,1H3
InChIKeyUKJZXNZUMGYEFO-UHFFFAOYSA-N
XLogP0.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminooxan-4-yl)-2-ethoxyethanone
CID 116604519
1-(1-aminocyclopentyl)-2-methoxyethanone
CID 116558746
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
CID 116600542
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
1-(1-aminocyclopentyl)-3-ethylsulfonylpropan-1-one
CID 106736251
1-[1-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
1-(1-aminocyclopentyl)-4-methylpent-4-en-1-one
CID 114477891
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
1-(1-aminocyclopentyl)but-3-yn-1-one
CID 116558666

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-ethoxyethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-ethoxyethanone (CID 116558697) is 1-(1-aminocyclopentyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-ethoxyethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-ethoxyethanone is CCOCC(=O)C1(N)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-ethoxyethanone?
The InChIKey is UKJZXNZUMGYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-7-8(11)9(10)5-3-4-6-9/h2-7,10H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-2-ethoxyethanone?
1-(1-aminocyclopentyl)-2-ethoxyethanone has a molecular weight of 171.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-ethoxyethanone is sourced from PubChem (CID 116558697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).