1-methyl-3-phenylurea

C8H10N2O — CID 13880

IUPAC1-methyl-3-phenylurea
SMILESCNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
InChIKeySQBHGDSDVWCPHN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-3-phenylurea

1-methyl-3-phenylurea (PubChem CID 13880) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-methyl-3-phenylurea
PubChem CID13880
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-methyl-3-phenylurea
SMILESCNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
InChIKeySQBHGDSDVWCPHN-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylurea?
The IUPAC name of 1-methyl-3-phenylurea (CID 13880) is 1-methyl-3-phenylurea.
What is the SMILES notation for 1-methyl-3-phenylurea?
The canonical SMILES for 1-methyl-3-phenylurea is CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenylurea?
The InChIKey is SQBHGDSDVWCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11).
What are the key properties of 1-methyl-3-phenylurea?
1-methyl-3-phenylurea has a molecular weight of 150.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylurea is sourced from PubChem (CID 13880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).