1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea

C11H14N2O2 — CID 77340380

IUPAC1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1C=CCO
InChIInChI=1S/C11H14N2O2/c1-12-11(15)13-10-7-3-2-5-9(10)6-4-8-14/h2-7,14H,8H2,1H3,(H2,12,13,15)
InChIKeyATMRPPDWGGEGSQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea

1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea (PubChem CID 77340380) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea
PubChem CID77340380
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1C=CCO
InChIInChI=1S/C11H14N2O2/c1-12-11(15)13-10-7-3-2-5-9(10)6-4-8-14/h2-7,14H,8H2,1H3,(H2,12,13,15)
InChIKeyATMRPPDWGGEGSQ-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-but-1-enylphenyl)carbamic acid
CID 163942827
N-[2-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 14397663
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
methyl 4-[2-(carbamothioylamino)phenyl]but-3-enoate
CID 170501221
ethyl 4-(2-acetamidophenyl)but-3-enoate
CID 170796592
N-[2-[(E)-hex-1-enyl]phenyl]butanamide
CID 173339802
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
N-[2-(4-azidobut-1-enyl)phenyl]acetamide
CID 170485725
but-1-ene;ethane;methyl N-[2-[(E)-but-1-enyl]phenyl]carbamate
CID 145294176
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea?
The IUPAC name of 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea (CID 77340380) is 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea?
The canonical SMILES for 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea is CNC(=O)Nc1ccccc1C=CCO.
What is the InChIKey of 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea?
The InChIKey is ATMRPPDWGGEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-11(15)13-10-7-3-2-5-9(10)6-4-8-14/h2-7,14H,8H2,1H3,(H2,12,13,15).
What are the key properties of 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea?
1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea has a molecular weight of 206.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea is sourced from PubChem (CID 77340380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).