4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one

C12H20N2O — CID 82158446

IUPAC4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCC2=CCCCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-8-12(15)14(9-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2
InChIKeyVLQSYDPNPRVMDN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one

4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 82158446) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
PubChem CID82158446
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCC2=CCCCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-8-12(15)14(9-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2
InChIKeyVLQSYDPNPRVMDN-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.44
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

N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113182280
1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113182299
5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 82023084
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182437
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113182447
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113182353
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182311
N-(4-acetylphenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182414
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182449
N-(3-acetamidophenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182415

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one (CID 82158446) is 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one is NC1CC(=O)N(CCC2=CCCCC2)C1.
What is the InChIKey of 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is VLQSYDPNPRVMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-8-12(15)14(9-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2.
What are the key properties of 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 82158446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).