1-(4-hydroxyphenyl)-3-prop-2-enylurea

C10H12N2O2 — CID 67731511

IUPAC1-(4-hydroxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H12N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2-6,13H,1,7H2,(H2,11,12,14)
InChIKeyXQUHTWBUNJPJAM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-prop-2-enylurea

1-(4-hydroxyphenyl)-3-prop-2-enylurea (PubChem CID 67731511) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-prop-2-enylurea
PubChem CID67731511
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(4-hydroxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H12N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2-6,13H,1,7H2,(H2,11,12,14)
InChIKeyXQUHTWBUNJPJAM-UHFFFAOYSA-N
XLogP1.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 47146193
5-(prop-2-enylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61193523
3-[4-(prop-2-enylcarbamoylamino)phenyl]butanoic acid
CID 113420057

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-prop-2-enylurea (CID 67731511) is 1-(4-hydroxyphenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-prop-2-enylurea?
The InChIKey is XQUHTWBUNJPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2-6,13H,1,7H2,(H2,11,12,14).
What are the key properties of 1-(4-hydroxyphenyl)-3-prop-2-enylurea?
1-(4-hydroxyphenyl)-3-prop-2-enylurea has a molecular weight of 192.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-prop-2-enylurea is sourced from PubChem (CID 67731511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).