[2-(3-hydroxyprop-1-ynyl)phenyl]urea

C10H10N2O2 — CID 60803594

IUPAC[2-(3-hydroxyprop-1-ynyl)phenyl]urea
SMILESNC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C10H10N2O2/c11-10(14)12-9-6-2-1-4-8(9)5-3-7-13/h1-2,4,6,13H,7H2,(H3,11,12,14)
InChIKeyRKHQWFHJZHPXIW-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.52
Rot. Bonds1

About [2-(3-hydroxyprop-1-ynyl)phenyl]urea

[2-(3-hydroxyprop-1-ynyl)phenyl]urea (PubChem CID 60803594) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is [2-(3-hydroxyprop-1-ynyl)phenyl]urea.

Molecular Properties

Compound Name[2-(3-hydroxyprop-1-ynyl)phenyl]urea
PubChem CID60803594
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name[2-(3-hydroxyprop-1-ynyl)phenyl]urea
SMILESNC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C10H10N2O2/c11-10(14)12-9-6-2-1-4-8(9)5-3-7-13/h1-2,4,6,13H,7H2,(H3,11,12,14)
InChIKeyRKHQWFHJZHPXIW-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea
CID 102421209
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyprop-1-ynyl)phenyl]urea?
The IUPAC name of [2-(3-hydroxyprop-1-ynyl)phenyl]urea (CID 60803594) is [2-(3-hydroxyprop-1-ynyl)phenyl]urea.
What is the SMILES notation for [2-(3-hydroxyprop-1-ynyl)phenyl]urea?
The canonical SMILES for [2-(3-hydroxyprop-1-ynyl)phenyl]urea is NC(=O)Nc1ccccc1C#CCO.
What is the InChIKey of [2-(3-hydroxyprop-1-ynyl)phenyl]urea?
The InChIKey is RKHQWFHJZHPXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(14)12-9-6-2-1-4-8(9)5-3-7-13/h1-2,4,6,13H,7H2,(H3,11,12,14).
What are the key properties of [2-(3-hydroxyprop-1-ynyl)phenyl]urea?
[2-(3-hydroxyprop-1-ynyl)phenyl]urea has a molecular weight of 190.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyprop-1-ynyl)phenyl]urea is sourced from PubChem (CID 60803594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).