N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H22N2O2 — CID 164633651

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCCC1=O)C1=CCCCC1
InChIInChI=1S/C14H22N2O2/c1-11(12-6-3-2-4-7-12)15-13(17)10-16-9-5-8-14(16)18/h6,11H,2-5,7-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyZXAJMANJBRHYOU-NSHDSACASA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds4

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 164633651) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID164633651
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCCC1=O)C1=CCCCC1
InChIInChI=1S/C14H22N2O2/c1-11(12-6-3-2-4-7-12)15-13(17)10-16-9-5-8-14(16)18/h6,11H,2-5,7-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyZXAJMANJBRHYOU-NSHDSACASA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 164633651) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is C[C@H](NC(=O)CN1CCCC1=O)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is ZXAJMANJBRHYOU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(12-6-3-2-4-7-12)15-13(17)10-16-9-5-8-14(16)18/h6,11H,2-5,7-10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 164633651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).