N-(3-cyano-5-methylphenyl)prop-2-enamide

C11H10N2O — CID 131071648

IUPACN-(3-cyano-5-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)cc(C#N)c1
InChIInChI=1S/C11H10N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1H2,2H3,(H,13,14)
InChIKeyHRJXRWOXLUKICL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.99
Rot. Bonds2

About N-(3-cyano-5-methylphenyl)prop-2-enamide

N-(3-cyano-5-methylphenyl)prop-2-enamide (PubChem CID 131071648) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(3-cyano-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyano-5-methylphenyl)prop-2-enamide
PubChem CID131071648
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-(3-cyano-5-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)cc(C#N)c1
InChIInChI=1S/C11H10N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1H2,2H3,(H,13,14)
InChIKeyHRJXRWOXLUKICL-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
CID 131209369
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
1-[3-cyano-5-(methylcarbamoylamino)phenyl]-3-methylurea
CID 175053322
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-[5-(4-cyanophenoxy)-3-pyridinyl]prop-2-enamide
CID 135373789
1-[(3-cyano-5-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122080157
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
3-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 130631614
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-methylphenyl)prop-2-enamide?
The IUPAC name of N-(3-cyano-5-methylphenyl)prop-2-enamide (CID 131071648) is N-(3-cyano-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-cyano-5-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-cyano-5-methylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(C)cc(C#N)c1.
What is the InChIKey of N-(3-cyano-5-methylphenyl)prop-2-enamide?
The InChIKey is HRJXRWOXLUKICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1H2,2H3,(H,13,14).
What are the key properties of N-(3-cyano-5-methylphenyl)prop-2-enamide?
N-(3-cyano-5-methylphenyl)prop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 131071648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).