1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one

C10H17ClN2O — CID 168686792

IUPAC1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
SMILESN[C@H]1CCCC[C@@H]1N1CC(Cl)CC1=O
InChIInChI=1S/C10H17ClN2O/c11-7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2/t7?,8-,9-/m0/s1
InChIKeyWNOHLQWRXHDFRY-NPPUSCPJSA-N
MW216.71 g/mol
LogP1.10
Rot. Bonds1

About 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one

1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one (PubChem CID 168686792) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
PubChem CID168686792
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
SMILESN[C@H]1CCCC[C@@H]1N1CC(Cl)CC1=O
InChIInChI=1S/C10H17ClN2O/c11-7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2/t7?,8-,9-/m0/s1
InChIKeyWNOHLQWRXHDFRY-NPPUSCPJSA-N
XLogP1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716381
1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716390
1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713059
4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
CID 168683470
S-[1-(2-aminocyclohexyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704218
4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
CID 61470304
4-chloro-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168686789
1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one
CID 11600845
(9R,9aR)-9-amino-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 162397801

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one?
The IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one (CID 168686792) is 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one is N[C@H]1CCCC[C@@H]1N1CC(Cl)CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one?
The InChIKey is WNOHLQWRXHDFRY-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-7-5-10(14)13(6-7)9-4-2-1-3-8(9)12/h7-9H,1-6,12H2/t7?,8-,9-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one?
1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one has a molecular weight of 216.71 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168686792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).