benzonitrile;N-methylpropanamide

C11H14N2O — CID 174788943

IUPACbenzonitrile;N-methylpropanamide
SMILESCCC(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C7H5N.C4H9NO/c8-6-7-4-2-1-3-5-7;1-3-4(6)5-2/h1-5H;3H2,1-2H3,(H,5,6)
InChIKeyMQWJWPGCJNGBQG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.70
Rot. Bonds1

About benzonitrile;N-methylpropanamide

benzonitrile;N-methylpropanamide (PubChem CID 174788943) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is benzonitrile;N-methylpropanamide.

Molecular Properties

Compound Namebenzonitrile;N-methylpropanamide
PubChem CID174788943
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namebenzonitrile;N-methylpropanamide
SMILESCCC(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C7H5N.C4H9NO/c8-6-7-4-2-1-3-5-7;1-3-4(6)5-2/h1-5H;3H2,1-2H3,(H,5,6)
InChIKeyMQWJWPGCJNGBQG-UHFFFAOYSA-N
XLogP1.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzonitrile;butanoic acid
CID 67781984
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
benzonitrile;ethyl acetate;hydrate
CID 174550045
(14N)benzonitrile
CID 102268532
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
benzonitrile;ethyl 3-oxobutanoate
CID 174248493
benzonitrile;hypoiodous acid
CID 174504508
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
acetaldehyde;benzonitrile;hydrate
CID 174391399
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
benzonitrile;prop-2-enoic acid
CID 157342322
bis(benzonitrile);2,3-dihydroxybutanedioic acid
CID 174576912

Frequently Asked Questions

What is the IUPAC name of benzonitrile;N-methylpropanamide?
The IUPAC name of benzonitrile;N-methylpropanamide (CID 174788943) is benzonitrile;N-methylpropanamide.
What is the SMILES notation for benzonitrile;N-methylpropanamide?
The canonical SMILES for benzonitrile;N-methylpropanamide is CCC(=O)NC.N#Cc1ccccc1.
What is the InChIKey of benzonitrile;N-methylpropanamide?
The InChIKey is MQWJWPGCJNGBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.C4H9NO/c8-6-7-4-2-1-3-5-7;1-3-4(6)5-2/h1-5H;3H2,1-2H3,(H,5,6).
What are the key properties of benzonitrile;N-methylpropanamide?
benzonitrile;N-methylpropanamide has a molecular weight of 190.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;N-methylpropanamide is sourced from PubChem (CID 174788943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).