3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide

C11H13N3O — CID 142305843

IUPAC3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
SMILES[H]/N=C/C(=C\N)c1cc(C(N)=O)ccc1C
InChIInChI=1S/C11H13N3O/c1-7-2-3-8(11(14)15)4-10(7)9(5-12)6-13/h2-6,12H,13H2,1H3,(H2,14,15)/b9-6+,12-5+
InChIKeyHWAWOQPTDUORIP-CQKKQSJTSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds3

About 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide

3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 142305843) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
PubChem CID142305843
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
SMILES[H]/N=C/C(=C\N)c1cc(C(N)=O)ccc1C
InChIInChI=1S/C11H13N3O/c1-7-2-3-8(11(14)15)4-10(7)9(5-12)6-13/h2-6,12H,13H2,1H3,(H2,14,15)/b9-6+,12-5+
InChIKeyHWAWOQPTDUORIP-CQKKQSJTSA-N
XLogP1.04
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide
CID 126735584
4-methyl-3-phosphanylbenzamide
CID 142140528
4-methyl-3-(4-propylhept-3-en-3-yl)benzamide
CID 155108244
3-chloro-4-methylbenzamide;ethane
CID 162191867
(Z)-3-imino-2-pyridin-4-ylprop-1-en-1-amine
CID 143257869
3,4-diacetylbenzamide
CID 70447380
(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate
CID 166914042
(Z)-4-imino-3-pyridin-4-ylbut-2-enamide
CID 146400466
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007
2-[2-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-6-methyl-4-(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 171837297
2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
CID 142305806

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide (CID 142305843) is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide is [H]/N=C/C(=C\N)c1cc(C(N)=O)ccc1C.
What is the InChIKey of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is HWAWOQPTDUORIP-CQKKQSJTSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-2-3-8(11(14)15)4-10(7)9(5-12)6-13/h2-6,12H,13H2,1H3,(H2,14,15)/b9-6+,12-5+.
What are the key properties of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide?
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 203.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 142305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).