N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide

C11H12N2O2 — CID 134890742

IUPACN-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide
SMILESO=CN/C(C=O)=C\NCc1ccccc1
InChIInChI=1S/C11H12N2O2/c14-8-11(13-9-15)7-12-6-10-4-2-1-3-5-10/h1-5,7-9,12H,6H2,(H,13,15)/b11-7-
InChIKeyVREFEMQNIQSRCW-XFFZJAGNSA-N
MW204.23 g/mol
LogP0.56
Rot. Bonds6

About N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide

N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide (PubChem CID 134890742) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide
PubChem CID134890742
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide
SMILESO=CN/C(C=O)=C\NCc1ccccc1
InChIInChI=1S/C11H12N2O2/c14-8-11(13-9-15)7-12-6-10-4-2-1-3-5-10/h1-5,7-9,12H,6H2,(H,13,15)/b11-7-
InChIKeyVREFEMQNIQSRCW-XFFZJAGNSA-N
XLogP0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzylformamide
CID 139060556
benzene-1,2-diol;N-benzylformamide
CID 174601153
N-[(benzylamino)methyl]formamide
CID 12511023
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
(E)-4-(benzylamino)-3-phenylbut-3-en-2-one
CID 71608074
N-benzylformamide;quinoline
CID 174801934
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
2-[(benzylamino)methylidene]-N,N'-bis(furan-2-ylmethyl)propanediamide
CID 21236243
iodo (2Z)-2-[(benzylamino)methylidene]heptanoate
CID 142107987
2-(benzylamino)acetaldehyde
CID 2769654
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
[(E)-2-(benzylamino)-1-cyanoethenyl]-triphenylphosphanium
CID 6025249

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide (CID 134890742) is N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide is O=CN/C(C=O)=C\NCc1ccccc1.
What is the InChIKey of N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide?
The InChIKey is VREFEMQNIQSRCW-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-8-11(13-9-15)7-12-6-10-4-2-1-3-5-10/h1-5,7-9,12H,6H2,(H,13,15)/b11-7-.
What are the key properties of N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide?
N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide has a molecular weight of 204.23 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide is sourced from PubChem (CID 134890742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).