1,1-bis(3-hydroxyprop-2-enyl)urea

C7H12N2O3 — CID 173037567

IUPAC1,1-bis(3-hydroxyprop-2-enyl)urea
SMILESNC(=O)N(CC=CO)CC=CO
InChIInChI=1S/C7H12N2O3/c8-7(12)9(3-1-5-10)4-2-6-11/h1-2,5-6,10-11H,3-4H2,(H2,8,12)
InChIKeyHHZOSAXFSNHQMZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.51
Rot. Bonds4

About 1,1-bis(3-hydroxyprop-2-enyl)urea

1,1-bis(3-hydroxyprop-2-enyl)urea (PubChem CID 173037567) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,1-bis(3-hydroxyprop-2-enyl)urea.

Molecular Properties

Compound Name1,1-bis(3-hydroxyprop-2-enyl)urea
PubChem CID173037567
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,1-bis(3-hydroxyprop-2-enyl)urea
SMILESNC(=O)N(CC=CO)CC=CO
InChIInChI=1S/C7H12N2O3/c8-7(12)9(3-1-5-10)4-2-6-11/h1-2,5-6,10-11H,3-4H2,(H2,8,12)
InChIKeyHHZOSAXFSNHQMZ-UHFFFAOYSA-N
XLogP0.51
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)prop-1-en-1-ol
CID 173098720
1,1-diethylurea;methanol
CID 88508313
sodium;1,1-diethylurea;hydride
CID 173115035
N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide
CID 69279772
3-[ethyl(hydroxy)amino]prop-1-en-1-ol
CID 173045375
formaldehyde;propanediamide
CID 161283557
1,1-bis[(Z)-docos-13-enyl]urea
CID 174515686
1,1-bis(2-ethenoxyethyl)urea
CID 154099655
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
(E)-prop-1-en-1-ol;urea
CID 87083567
propanediamide
CID 7911
N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-hydroxyprop-2-enyl)urea?
The IUPAC name of 1,1-bis(3-hydroxyprop-2-enyl)urea (CID 173037567) is 1,1-bis(3-hydroxyprop-2-enyl)urea.
What is the SMILES notation for 1,1-bis(3-hydroxyprop-2-enyl)urea?
The canonical SMILES for 1,1-bis(3-hydroxyprop-2-enyl)urea is NC(=O)N(CC=CO)CC=CO.
What is the InChIKey of 1,1-bis(3-hydroxyprop-2-enyl)urea?
The InChIKey is HHZOSAXFSNHQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(12)9(3-1-5-10)4-2-6-11/h1-2,5-6,10-11H,3-4H2,(H2,8,12).
What are the key properties of 1,1-bis(3-hydroxyprop-2-enyl)urea?
1,1-bis(3-hydroxyprop-2-enyl)urea has a molecular weight of 172.18 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-hydroxyprop-2-enyl)urea is sourced from PubChem (CID 173037567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).