1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea

C10H20N2O2 — CID 111104441

IUPAC1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NCCCO
InChIInChI=1S/C10H20N2O2/c1-8-4-2-5-9(8)12-10(14)11-6-3-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyLDFDMPKKEZIJJO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea

1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea (PubChem CID 111104441) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
PubChem CID111104441
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NCCCO
InChIInChI=1S/C10H20N2O2/c1-8-4-2-5-9(8)12-10(14)11-6-3-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyLDFDMPKKEZIJJO-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
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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Related Compounds

3-(Cyclopentylmethyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 72050119
1-(1-Cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
CID 91661371
1-[2-(2-Hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea
CID 119039464
1-[2-(Hydroxymethyl)cyclopentyl]-3-(2,2,2-trifluoroethyl)urea
CID 103710055
1-[2-(Hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474171
1-[2-(Hydroxymethyl)-2-methylcyclopentyl]-3-(5,5,5-trifluoropentyl)urea
CID 112427371
1-Ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
CID 22381298
1-(2-Ethyl-3-hydroxyhexyl)-3-methylurea
CID 22381322
1-Butyl-3-(2-ethyl-3-hydroxyhexyl)urea
CID 22381415
1-Cyclohexyl-3-(3-hydroxy-2-methylpropyl)urea
CID 58748910
1-(2-Hydroxyethyl)-3-(2-methylcyclopentyl)-1-sulfanylurea
CID 88101694
1-(1-Cyclopentyl-2-hydroxyethyl)-3-ethylurea
CID 140042852

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea (CID 111104441) is 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea is CC1CCCC1NC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea?
The InChIKey is LDFDMPKKEZIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-4-2-5-9(8)12-10(14)11-6-3-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea?
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 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-methylcyclopentyl)urea is sourced from PubChem (CID 111104441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).