methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate

C15H18N2O4 — CID 119040569

IUPACmethyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate
SMILESC=CCN1CCC(Oc2ccc(NC(=O)OC)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-9-17-10-8-13(14(17)18)21-12-6-4-11(5-7-12)16-15(19)20-2/h3-7,13H,1,8-10H2,2H3,(H,16,19)
InChIKeyUQLKRIREWSRRNS-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.03
Rot. Bonds5

About methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate

methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate (PubChem CID 119040569) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate
PubChem CID119040569
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate
SMILESC=CCN1CCC(Oc2ccc(NC(=O)OC)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-9-17-10-8-13(14(17)18)21-12-6-4-11(5-7-12)16-15(19)20-2/h3-7,13H,1,8-10H2,2H3,(H,16,19)
InChIKeyUQLKRIREWSRRNS-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]carbamate
CID 78427620
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
[4-(methoxycarbonylamino)phenoxy]boronic acid
CID 142779925
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
CID 47059933
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
CID 75427648
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate?
The IUPAC name of methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate (CID 119040569) is methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate?
The canonical SMILES for methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate is C=CCN1CCC(Oc2ccc(NC(=O)OC)cc2)C1=O.
What is the InChIKey of methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate?
The InChIKey is UQLKRIREWSRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-9-17-10-8-13(14(17)18)21-12-6-4-11(5-7-12)16-15(19)20-2/h3-7,13H,1,8-10H2,2H3,(H,16,19).
What are the key properties of methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate?
methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate has a molecular weight of 290.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate is sourced from PubChem (CID 119040569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).