methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate

C14H20N2O3 — CID 141363764

IUPACmethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
SMILESCOC(=O)NC(C(=O)n1cccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyLWSBARHXDBLBFG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds3

About methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate

methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate (PubChem CID 141363764) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
PubChem CID141363764
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
SMILESCOC(=O)NC(C(=O)n1cccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyLWSBARHXDBLBFG-UHFFFAOYSA-N
XLogP2.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The IUPAC name of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate (CID 141363764) is methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate is COC(=O)NC(C(=O)n1cccc1)C1CCCCC1.
What is the InChIKey of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The InChIKey is LWSBARHXDBLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18).
What are the key properties of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate is sourced from PubChem (CID 141363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).