N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide

C15H24N2O3 — CID 136535784

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCN(CC1CC=CCC1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C15H24N2O3/c1-20-10-9-17(11-12-5-3-2-4-6-12)15(19)13-7-8-14(18)16-13/h2-3,12-13H,4-11H2,1H3,(H,16,18)
InChIKeyRNVVYHFMSANCIW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.10
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 136535784) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID136535784
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCN(CC1CC=CCC1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C15H24N2O3/c1-20-10-9-17(11-12-5-3-2-4-6-12)15(19)13-7-8-14(18)16-13/h2-3,12-13H,4-11H2,1H3,(H,16,18)
InChIKeyRNVVYHFMSANCIW-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide (CID 136535784) is N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide is COCCN(CC1CC=CCC1)C(=O)C1CCC(=O)N1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RNVVYHFMSANCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-10-9-17(11-12-5-3-2-4-6-12)15(19)13-7-8-14(18)16-13/h2-3,12-13H,4-11H2,1H3,(H,16,18).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 136535784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).