N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide

C12H13N3O — CID 149306381

IUPACN-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
SMILESC=N/C(=N\C=C/C)NC(=O)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-3-9-14-12(13-2)15-11(16)10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,14,15,16)/b9-3-
InChIKeyXXTDGWGEDSWLIK-OQFOIZHKSA-N
MW215.26 g/mol
LogP2.01
Rot. Bonds2

About N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide

N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide (PubChem CID 149306381) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
PubChem CID149306381
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
SMILESC=N/C(=N\C=C/C)NC(=O)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-3-9-14-12(13-2)15-11(16)10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,14,15,16)/b9-3-
InChIKeyXXTDGWGEDSWLIK-OQFOIZHKSA-N
XLogP2.01
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
N-methylbenzamide
CID 11954
N-[(3E)-4-(aminomethylideneamino)-3-(ethylideneamino)buta-1,3-dien-2-yl]benzamide
CID 88954649
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide?
The IUPAC name of N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide (CID 149306381) is N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide.
What is the SMILES notation for N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide?
The canonical SMILES for N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide is C=N/C(=N\C=C/C)NC(=O)c1ccccc1.
What is the InChIKey of N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide?
The InChIKey is XXTDGWGEDSWLIK-OQFOIZHKSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-9-14-12(13-2)15-11(16)10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,14,15,16)/b9-3-.
What are the key properties of N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide?
N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide has a molecular weight of 215.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide is sourced from PubChem (CID 149306381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).