2-phenylpropylideneurea

C10H12N2O — CID 57051679

IUPAC2-phenylpropylideneurea
SMILESCC(C=NC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-8(7-12-10(11)13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,11,13)
InChIKeyDZIJUCGVWSUSEP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.94
Rot. Bonds2

About 2-phenylpropylideneurea

2-phenylpropylideneurea (PubChem CID 57051679) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-phenylpropylideneurea.

Molecular Properties

Compound Name2-phenylpropylideneurea
PubChem CID57051679
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-phenylpropylideneurea
SMILESCC(C=NC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-8(7-12-10(11)13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,11,13)
InChIKeyDZIJUCGVWSUSEP-UHFFFAOYSA-N
XLogP1.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropylideneurea?
The IUPAC name of 2-phenylpropylideneurea (CID 57051679) is 2-phenylpropylideneurea.
What is the SMILES notation for 2-phenylpropylideneurea?
The canonical SMILES for 2-phenylpropylideneurea is CC(C=NC(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylpropylideneurea?
The InChIKey is DZIJUCGVWSUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(7-12-10(11)13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,11,13).
What are the key properties of 2-phenylpropylideneurea?
2-phenylpropylideneurea has a molecular weight of 176.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropylideneurea is sourced from PubChem (CID 57051679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).