N-[(R)-cyano(phenyl)methyl]formamide

C9H8N2O — CID 124506791

IUPACN-[(R)-cyano(phenyl)methyl]formamide
SMILESN#C[C@H](NC=O)c1ccccc1
InChIInChI=1S/C9H8N2O/c10-6-9(11-7-12)8-4-2-1-3-5-8/h1-5,7,9H,(H,11,12)/t9-/m0/s1
InChIKeyMNTXILUWEWIXGY-VIFPVBQESA-N
MW160.18 g/mol
LogP1.00
Rot. Bonds3

About N-[(R)-cyano(phenyl)methyl]formamide

N-[(R)-cyano(phenyl)methyl]formamide (PubChem CID 124506791) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-[(R)-cyano(phenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(R)-cyano(phenyl)methyl]formamide
PubChem CID124506791
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-[(R)-cyano(phenyl)methyl]formamide
SMILESN#C[C@H](NC=O)c1ccccc1
InChIInChI=1S/C9H8N2O/c10-6-9(11-7-12)8-4-2-1-3-5-8/h1-5,7,9H,(H,11,12)/t9-/m0/s1
InChIKeyMNTXILUWEWIXGY-VIFPVBQESA-N
XLogP1.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(R)-cyano(phenyl)methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]methanesulfinamide
CID 118587949
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
N-[ethoxy(phenyl)methyl]formamide
CID 24975232
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea
CID 155292911

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano(phenyl)methyl]formamide?
The IUPAC name of N-[(R)-cyano(phenyl)methyl]formamide (CID 124506791) is N-[(R)-cyano(phenyl)methyl]formamide.
What is the SMILES notation for N-[(R)-cyano(phenyl)methyl]formamide?
The canonical SMILES for N-[(R)-cyano(phenyl)methyl]formamide is N#C[C@H](NC=O)c1ccccc1.
What is the InChIKey of N-[(R)-cyano(phenyl)methyl]formamide?
The InChIKey is MNTXILUWEWIXGY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8N2O/c10-6-9(11-7-12)8-4-2-1-3-5-8/h1-5,7,9H,(H,11,12)/t9-/m0/s1.
What are the key properties of N-[(R)-cyano(phenyl)methyl]formamide?
N-[(R)-cyano(phenyl)methyl]formamide has a molecular weight of 160.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano(phenyl)methyl]formamide is sourced from PubChem (CID 124506791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).