N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide

C11H12N2O2 — CID 11846933

IUPACN-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
SMILESC/C(=C/NC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(10(12)14)7-13-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)(H,13,15)/b8-7-
InChIKeyOVNWYJGJSHUXLL-FPLPWBNLSA-N
MW204.23 g/mol
LogP0.81
Rot. Bonds3

About N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide

N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide (PubChem CID 11846933) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
PubChem CID11846933
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
SMILESC/C(=C/NC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C11H12N2O2/c1-8(10(12)14)7-13-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)(H,13,15)/b8-7-
InChIKeyOVNWYJGJSHUXLL-FPLPWBNLSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Hippuric Acid
CID 464
Betamipron
CID 71651
N-Methylbenzamide
CID 11954
N,N-Diethylbenzamide
CID 15542
1(2H)-Isoquinolinone
CID 10284
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
Benzoylurea
CID 69190
N,N-Dimethylbenzamide
CID 11916

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide (CID 11846933) is N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide is C/C(=C/NC(=O)c1ccccc1)C(N)=O.
What is the InChIKey of N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide?
The InChIKey is OVNWYJGJSHUXLL-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(10(12)14)7-13-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)(H,13,15)/b8-7-.
What are the key properties of N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide?
N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 11846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).