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

C10H10N2O2 — CID 102327969

IUPACN-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
SMILESNC(=O)/C=C\NC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-9(13)6-7-12-10(14)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6-
InChIKeySGQNAAOWIORZQO-SREVYHEPSA-N
MW190.20 g/mol
LogP0.42
Rot. Bonds3

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

N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide (PubChem CID 102327969) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
PubChem CID102327969
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
SMILESNC(=O)/C=C\NC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-9(13)6-7-12-10(14)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6-
InChIKeySGQNAAOWIORZQO-SREVYHEPSA-N
XLogP0.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.42
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

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CID 102308068
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N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
(Z)-3-anilinoprop-2-enamide
CID 143937122
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
3-(phenoxyamino)prop-2-enamide
CID 91585348
N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
CID 11846933
N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
CID 174871925
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
N-(2,2-dichloroethenyl)benzamide
CID 2131512
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
N-carbamoylbenzamide;urea
CID 157303801

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide (CID 102327969) is N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide is NC(=O)/C=C\NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide?
The InChIKey is SGQNAAOWIORZQO-SREVYHEPSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-9(13)6-7-12-10(14)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6-.
What are the key properties of N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide?
N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide has a molecular weight of 190.20 g/mol, XLogP of 0.42, 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-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 102327969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).