1-[cyano(phenyl)methyl]-3-methylurea

C10H11N3O — CID 86162991

IUPAC1-[cyano(phenyl)methyl]-3-methylurea
SMILESCNC(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C10H11N3O/c1-12-10(14)13-9(7-11)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,12,13,14)
InChIKeyLIELYFWNMDJWCX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.18
Rot. Bonds2

About 1-[cyano(phenyl)methyl]-3-methylurea

1-[cyano(phenyl)methyl]-3-methylurea (PubChem CID 86162991) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[cyano(phenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[cyano(phenyl)methyl]-3-methylurea
PubChem CID86162991
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-[cyano(phenyl)methyl]-3-methylurea
SMILESCNC(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C10H11N3O/c1-12-10(14)13-9(7-11)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,12,13,14)
InChIKeyLIELYFWNMDJWCX-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea
CID 155292911
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
N-[cyano(phenyl)methyl]-2-propylpentanamide
CID 82984597
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730

Frequently Asked Questions

What is the IUPAC name of 1-[cyano(phenyl)methyl]-3-methylurea?
The IUPAC name of 1-[cyano(phenyl)methyl]-3-methylurea (CID 86162991) is 1-[cyano(phenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[cyano(phenyl)methyl]-3-methylurea?
The canonical SMILES for 1-[cyano(phenyl)methyl]-3-methylurea is CNC(=O)NC(C#N)c1ccccc1.
What is the InChIKey of 1-[cyano(phenyl)methyl]-3-methylurea?
The InChIKey is LIELYFWNMDJWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-12-10(14)13-9(7-11)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,12,13,14).
What are the key properties of 1-[cyano(phenyl)methyl]-3-methylurea?
1-[cyano(phenyl)methyl]-3-methylurea has a molecular weight of 189.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyano(phenyl)methyl]-3-methylurea is sourced from PubChem (CID 86162991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).