1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea

C8H16N2O2 — CID 108909933

IUPAC1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)NCCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)6-10-8(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyHAODDLZQTRWZSC-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.59
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea

1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909933) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909933
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)NCCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)6-10-8(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyHAODDLZQTRWZSC-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea (CID 108909933) is 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is HAODDLZQTRWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)6-10-8(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea?
1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).