methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate

C11H12N2O3 — CID 6309358

IUPACmethyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
SMILESCOC(=O)N/N=C(\C(C)=O)c1ccccc1
InChIInChI=1S/C11H12N2O3/c1-8(14)10(12-13-11(15)16-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)/b12-10+
InChIKeyRFACRRSQWVJWNY-ZRDIBKRKSA-N
MW220.23 g/mol
LogP1.34
Rot. Bonds3

About methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate

methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate (PubChem CID 6309358) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
PubChem CID6309358
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
SMILESCOC(=O)N/N=C(\C(C)=O)c1ccccc1
InChIInChI=1S/C11H12N2O3/c1-8(14)10(12-13-11(15)16-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)/b12-10+
InChIKeyRFACRRSQWVJWNY-ZRDIBKRKSA-N
XLogP1.34
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate?
The IUPAC name of methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate (CID 6309358) is methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate?
The canonical SMILES for methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate is COC(=O)N/N=C(\C(C)=O)c1ccccc1.
What is the InChIKey of methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate?
The InChIKey is RFACRRSQWVJWNY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(14)10(12-13-11(15)16-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)/b12-10+.
What are the key properties of methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate?
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate has a molecular weight of 220.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate is sourced from PubChem (CID 6309358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).