1-(cyclopropylmethyl)-3-(3-methylphenyl)urea

C12H16N2O — CID 2815457

IUPAC1-(cyclopropylmethyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-11(7-9)14-12(15)13-8-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14,15)
InChIKeyWVSJDRNPYKWQLX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.53
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea

1-(cyclopropylmethyl)-3-(3-methylphenyl)urea (PubChem CID 2815457) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3-methylphenyl)urea
PubChem CID2815457
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(cyclopropylmethyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-11(7-9)14-12(15)13-8-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14,15)
InChIKeyWVSJDRNPYKWQLX-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea (CID 2815457) is 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea?
The InChIKey is WVSJDRNPYKWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-11(7-9)14-12(15)13-8-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea?
1-(cyclopropylmethyl)-3-(3-methylphenyl)urea has a molecular weight of 204.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 2815457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).