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

C12H20N2O — CID 168683470

IUPAC1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@H]2CCCC[C@@H]2N)C1
InChIInChI=1S/C12H20N2O/c1-2-9-7-12(15)14(8-9)11-6-4-3-5-10(11)13/h2,9-11H,1,3-8,13H2/t9?,10-,11-/m0/s1
InChIKeyQQKNDRWXZFGFRZ-DVRYWGNFSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds2

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

1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683470) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
PubChem CID168683470
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@H]2CCCC[C@@H]2N)C1
InChIInChI=1S/C12H20N2O/c1-2-9-7-12(15)14(8-9)11-6-4-3-5-10(11)13/h2,9-11H,1,3-8,13H2/t9?,10-,11-/m0/s1
InChIKeyQQKNDRWXZFGFRZ-DVRYWGNFSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
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,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
CID 168686792
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
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-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
CID 168685168
1-(1,1-dioxothian-4-yl)-4-ethenylpyrrolidin-2-one
CID 168685133
S-[1-(2-aminocyclohexyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704218
4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
CID 61470304

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one (CID 168683470) is 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N([C@H]2CCCC[C@@H]2N)C1.
What is the InChIKey of 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is QQKNDRWXZFGFRZ-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-9-7-12(15)14(8-9)11-6-4-3-5-10(11)13/h2,9-11H,1,3-8,13H2/t9?,10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one?
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.29, 2 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-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).