(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide

C12H14N2O — CID 89369812

IUPAC(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
SMILESC=C(/C=C\C)C(=O)Nc1ccccc1N
InChIInChI=1S/C12H14N2O/c1-3-6-9(2)12(15)14-11-8-5-4-7-10(11)13/h3-8H,2,13H2,1H3,(H,14,15)/b6-3-
InChIKeyKFNFRMWELQXKSD-UTCJRWHESA-N
MW202.26 g/mol
LogP2.34
Rot. Bonds3

About (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide

(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide (PubChem CID 89369812) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
PubChem CID89369812
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
SMILESC=C(/C=C\C)C(=O)Nc1ccccc1N
InChIInChI=1S/C12H14N2O/c1-3-6-9(2)12(15)14-11-8-5-4-7-10(11)13/h3-8H,2,13H2,1H3,(H,14,15)/b6-3-
InChIKeyKFNFRMWELQXKSD-UTCJRWHESA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-methylprop-2-enamide;propane
CID 118948381
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CID 143456973
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
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CID 144503553
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
CID 170283618
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 13185213
1-(2-aminophenyl)-3-iodourea
CID 130470631
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CID 90330903

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide?
The IUPAC name of (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide (CID 89369812) is (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide.
What is the SMILES notation for (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide?
The canonical SMILES for (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide is C=C(/C=C\C)C(=O)Nc1ccccc1N.
What is the InChIKey of (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide?
The InChIKey is KFNFRMWELQXKSD-UTCJRWHESA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-6-9(2)12(15)14-11-8-5-4-7-10(11)13/h3-8H,2,13H2,1H3,(H,14,15)/b6-3-.
What are the key properties of (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide?
(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide has a molecular weight of 202.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide is sourced from PubChem (CID 89369812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).