3-(3-carbamimidoylphenyl)-2-iminopropanamide

C10H12N4O — CID 87674720

IUPAC3-(3-carbamimidoylphenyl)-2-iminopropanamide
SMILES[H]/N=C(/Cc1cccc(/C(N)=N/[H])c1)C(N)=O
InChIInChI=1S/C10H12N4O/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,11H,5H2,(H3,12,13)(H2,14,15)/b11-8-
InChIKeyNQDUXGOSSNUPGK-FLIBITNWSA-N
MW204.23 g/mol
LogP0.02
Rot. Bonds4

About 3-(3-carbamimidoylphenyl)-2-iminopropanamide

3-(3-carbamimidoylphenyl)-2-iminopropanamide (PubChem CID 87674720) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(3-carbamimidoylphenyl)-2-iminopropanamide.

Molecular Properties

Compound Name3-(3-carbamimidoylphenyl)-2-iminopropanamide
PubChem CID87674720
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(3-carbamimidoylphenyl)-2-iminopropanamide
SMILES[H]/N=C(/Cc1cccc(/C(N)=N/[H])c1)C(N)=O
InChIInChI=1S/C10H12N4O/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,11H,5H2,(H3,12,13)(H2,14,15)/b11-8-
InChIKeyNQDUXGOSSNUPGK-FLIBITNWSA-N
XLogP0.02
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide
CID 58046904
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
azanium 3-carbamimidoylbenzoate
CID 69273733
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553
N-tert-butyl-3-(3-carbamimidoylphenyl)-2-methylpropanamide
CID 22888514
1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea
CID 143111767
N-[(3-carbamimidoylphenyl)methyl]azepane-1-carboxamide
CID 79152751
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-sulfanylbenzenecarboximidamide
CID 69159686

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamimidoylphenyl)-2-iminopropanamide?
The IUPAC name of 3-(3-carbamimidoylphenyl)-2-iminopropanamide (CID 87674720) is 3-(3-carbamimidoylphenyl)-2-iminopropanamide.
What is the SMILES notation for 3-(3-carbamimidoylphenyl)-2-iminopropanamide?
The canonical SMILES for 3-(3-carbamimidoylphenyl)-2-iminopropanamide is [H]/N=C(/Cc1cccc(/C(N)=N/[H])c1)C(N)=O.
What is the InChIKey of 3-(3-carbamimidoylphenyl)-2-iminopropanamide?
The InChIKey is NQDUXGOSSNUPGK-FLIBITNWSA-N. The full InChI is InChI=1S/C10H12N4O/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,11H,5H2,(H3,12,13)(H2,14,15)/b11-8-.
What are the key properties of 3-(3-carbamimidoylphenyl)-2-iminopropanamide?
3-(3-carbamimidoylphenyl)-2-iminopropanamide has a molecular weight of 204.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamimidoylphenyl)-2-iminopropanamide is sourced from PubChem (CID 87674720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).