N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

C14H24N2O2 — CID 61215048

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h5,12-13,16H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyQUSPONYNCMJZEF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61215048) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61215048
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h5,12-13,16H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyQUSPONYNCMJZEF-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798010
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
N-[2-(cyclohexen-1-yl)ethyl]-5-oxothiomorpholine-3-carboxamide
CID 110695427
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61215048) is N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is QUSPONYNCMJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h5,12-13,16H,2-4,6-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61215048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).