N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C16H26N2O2 — CID 4100367

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(CCC1=O)C(=O)NCCC2=CCCCC2
InChIInChI=1S/C16H26N2O2/c1-12(2)18-14(8-9-15(18)19)16(20)17-11-10-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20)
InChIKeyYOMOTDYHVCTHSY-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 4100367) has the molecular formula C16H26N2O2 and a molecular weight of 278.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID4100367
Molecular FormulaC16H26N2O2
Molecular Weight278.39 g/mol
Exact Mass278.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(CCC1=O)C(=O)NCCC2=CCCCC2
InChIInChI=1S/C16H26N2O2/c1-12(2)18-14(8-9-15(18)19)16(20)17-11-10-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20)
InChIKeyYOMOTDYHVCTHSY-UHFFFAOYSA-N
XLogP2.00
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity401

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.00
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-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 4100367) is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(CCC1=O)C(=O)NCCC2=CCCCC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YOMOTDYHVCTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-14(8-9-15(18)19)16(20)17-11-10-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 278.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).