N-(1-cyano-1-phenylethyl)formamide

C10H10N2O — CID 174786305

IUPACN-(1-cyano-1-phenylethyl)formamide
SMILESCC(C#N)(NC=O)c1ccccc1
InChIInChI=1S/C10H10N2O/c1-10(7-11,12-8-13)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,12,13)
InChIKeyOOHARCNVCUGJOW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.17
Rot. Bonds3

About N-(1-cyano-1-phenylethyl)formamide

N-(1-cyano-1-phenylethyl)formamide (PubChem CID 174786305) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(1-cyano-1-phenylethyl)formamide.

Molecular Properties

Compound NameN-(1-cyano-1-phenylethyl)formamide
PubChem CID174786305
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-(1-cyano-1-phenylethyl)formamide
SMILESCC(C#N)(NC=O)c1ccccc1
InChIInChI=1S/C10H10N2O/c1-10(7-11,12-8-13)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,12,13)
InChIKeyOOHARCNVCUGJOW-UHFFFAOYSA-N
XLogP1.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzhydrylamino)-2-phenylpropanenitrile
CID 101454893
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
CID 141319600
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
tert-butyl 2-cyano-2-formamido-3-phenylpropanoate
CID 15322935
N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 62707555
2-(diphenylphosphorylamino)-2-(4-methylphenyl)propanenitrile
CID 135071298
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
(2S)-2-(4-bromophenyl)-2-(diphenylphosphorylamino)propanenitrile
CID 102391094
2-methyl-2-[(2S)-2-phenylbut-3-en-2-yl]propanedinitrile
CID 138979040
2-formamido-2-methoxy-2-phenylacetic acid
CID 57133630

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-phenylethyl)formamide?
The IUPAC name of N-(1-cyano-1-phenylethyl)formamide (CID 174786305) is N-(1-cyano-1-phenylethyl)formamide.
What is the SMILES notation for N-(1-cyano-1-phenylethyl)formamide?
The canonical SMILES for N-(1-cyano-1-phenylethyl)formamide is CC(C#N)(NC=O)c1ccccc1.
What is the InChIKey of N-(1-cyano-1-phenylethyl)formamide?
The InChIKey is OOHARCNVCUGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-10(7-11,12-8-13)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,12,13).
What are the key properties of N-(1-cyano-1-phenylethyl)formamide?
N-(1-cyano-1-phenylethyl)formamide has a molecular weight of 174.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-phenylethyl)formamide is sourced from PubChem (CID 174786305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).