methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate

C12H20N2O3 — CID 144526130

IUPACmethyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate
SMILESCOC(=O)NC(C=C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N2O3/c1-9(2)8-10(13-12(16)17-3)11(15)14-6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,13,16)
InChIKeyQCJULEMQAXGOQF-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.30
Rot. Bonds3

About methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate

methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate (PubChem CID 144526130) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate
PubChem CID144526130
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate
SMILESCOC(=O)NC(C=C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N2O3/c1-9(2)8-10(13-12(16)17-3)11(15)14-6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,13,16)
InChIKeyQCJULEMQAXGOQF-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.30
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 methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate?
The IUPAC name of methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate (CID 144526130) is methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate is COC(=O)NC(C=C(C)C)C(=O)N1CCCC1.
What is the InChIKey of methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate?
The InChIKey is QCJULEMQAXGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)8-10(13-12(16)17-3)11(15)14-6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,13,16).
What are the key properties of methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate?
methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpent-3-en-2-yl)carbamate is sourced from PubChem (CID 144526130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).