1-[methyl(prop-2-enyl)amino]-3-phenylurea

C11H15N3O — CID 816171

IUPAC1-[methyl(prop-2-enyl)amino]-3-phenylurea
SMILESC=CCN(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O/c1-3-9-14(2)13-11(15)12-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H2,12,13,15)
InChIKeyPARUEEWLHOSQJG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds4

About 1-[methyl(prop-2-enyl)amino]-3-phenylurea

1-[methyl(prop-2-enyl)amino]-3-phenylurea (PubChem CID 816171) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[methyl(prop-2-enyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[methyl(prop-2-enyl)amino]-3-phenylurea
PubChem CID816171
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[methyl(prop-2-enyl)amino]-3-phenylurea
SMILESC=CCN(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O/c1-3-9-14(2)13-11(15)12-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H2,12,13,15)
InChIKeyPARUEEWLHOSQJG-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-2-enyl)amino]-3-phenylurea?
The IUPAC name of 1-[methyl(prop-2-enyl)amino]-3-phenylurea (CID 816171) is 1-[methyl(prop-2-enyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[methyl(prop-2-enyl)amino]-3-phenylurea?
The canonical SMILES for 1-[methyl(prop-2-enyl)amino]-3-phenylurea is C=CCN(C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[methyl(prop-2-enyl)amino]-3-phenylurea?
The InChIKey is PARUEEWLHOSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-9-14(2)13-11(15)12-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H2,12,13,15).
What are the key properties of 1-[methyl(prop-2-enyl)amino]-3-phenylurea?
1-[methyl(prop-2-enyl)amino]-3-phenylurea has a molecular weight of 205.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-enyl)amino]-3-phenylurea is sourced from PubChem (CID 816171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).