1-(cyclopropylmethyl)-3-phenylurea

C11H14N2O — CID 2815427

IUPAC1-(cyclopropylmethyl)-3-phenylurea
SMILESO=C(NCC1CC1)Nc1ccccc1
InChIInChI=1S/C11H14N2O/c14-11(12-8-9-6-7-9)13-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13,14)
InChIKeyQSRLWJQFIHISRF-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.22
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-phenylurea

1-(cyclopropylmethyl)-3-phenylurea (PubChem CID 2815427) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-phenylurea
PubChem CID2815427
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(cyclopropylmethyl)-3-phenylurea
SMILESO=C(NCC1CC1)Nc1ccccc1
InChIInChI=1S/C11H14N2O/c14-11(12-8-9-6-7-9)13-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13,14)
InChIKeyQSRLWJQFIHISRF-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-phenylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-phenylurea (CID 2815427) is 1-(cyclopropylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-phenylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-phenylurea is O=C(NCC1CC1)Nc1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-phenylurea?
The InChIKey is QSRLWJQFIHISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(12-8-9-6-7-9)13-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13,14).
What are the key properties of 1-(cyclopropylmethyl)-3-phenylurea?
1-(cyclopropylmethyl)-3-phenylurea has a molecular weight of 190.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-phenylurea is sourced from PubChem (CID 2815427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).