N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen

C11H18N2O — CID 145298068

IUPACN-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
SMILESC=CC(=O)Nc1ccccc1N.CC.[H][H]
InChIInChI=1S/C9H10N2O.C2H6.H2/c1-2-9(12)11-8-6-4-3-5-7(8)10;1-2;/h2-6H,1,10H2,(H,11,12);1-2H3;1H
InChIKeyPGSPKAWDFRFUSK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.67
Rot. Bonds2

About N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen

N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen (PubChem CID 145298068) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
PubChem CID145298068
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
SMILESC=CC(=O)Nc1ccccc1N.CC.[H][H]
InChIInChI=1S/C9H10N2O.C2H6.H2/c1-2-9(12)11-8-6-4-3-5-7(8)10;1-2;/h2-6H,1,10H2,(H,11,12);1-2H3;1H
InChIKeyPGSPKAWDFRFUSK-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.67
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'}

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Related Compounds

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CID 89401895
N-(2-ethynylphenyl)prop-2-enamide
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(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
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ethane;2-hydrazinylaniline;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen?
The IUPAC name of N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen (CID 145298068) is N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen?
The canonical SMILES for N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen is C=CC(=O)Nc1ccccc1N.CC.[H][H].
What is the InChIKey of N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen?
The InChIKey is PGSPKAWDFRFUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6.H2/c1-2-9(12)11-8-6-4-3-5-7(8)10;1-2;/h2-6H,1,10H2,(H,11,12);1-2H3;1H.
What are the key properties of N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen?
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen has a molecular weight of 194.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen is sourced from PubChem (CID 145298068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).