1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea

C7H12N2O3 — CID 175101455

IUPAC1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea
SMILESC=CN(C=C)C(=O)N(CO)CO
InChIInChI=1S/C7H12N2O3/c1-3-8(4-2)7(12)9(5-10)6-11/h3-4,10-11H,1-2,5-6H2
InChIKeyZFGZMDWYHORPCW-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.10
Rot. Bonds4

About 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea

1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea (PubChem CID 175101455) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea
PubChem CID175101455
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea
SMILESC=CN(C=C)C(=O)N(CO)CO
InChIInChI=1S/C7H12N2O3/c1-3-8(4-2)7(12)9(5-10)6-11/h3-4,10-11H,1-2,5-6H2
InChIKeyZFGZMDWYHORPCW-UHFFFAOYSA-N
XLogP-0.10
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea?
The IUPAC name of 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea (CID 175101455) is 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea.
What is the SMILES notation for 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea?
The canonical SMILES for 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea is C=CN(C=C)C(=O)N(CO)CO.
What is the InChIKey of 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea?
The InChIKey is ZFGZMDWYHORPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3-8(4-2)7(12)9(5-10)6-11/h3-4,10-11H,1-2,5-6H2.
What are the key properties of 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea?
1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea has a molecular weight of 172.18 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenyl)-3,3-bis(hydroxymethyl)urea is sourced from PubChem (CID 175101455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).