1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea

C12H22N2O2 — CID 108913619

IUPAC1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NC=C1CCCC1)NCCCCCO
InChIInChI=1S/C12H22N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h10,15H,1-9H2,(H2,13,14,16)
InChIKeyPGKOZADAWBHOBZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.91
Rot. Bonds6

About 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea

1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea (PubChem CID 108913619) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
PubChem CID108913619
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NC=C1CCCC1)NCCCCCO
InChIInChI=1S/C12H22N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h10,15H,1-9H2,(H2,13,14,16)
InChIKeyPGKOZADAWBHOBZ-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.91
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

1-(cyclohexylidenemethyl)-3-propylurea
CID 108912374
1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
CID 108913658
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
CID 108913992
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-[(4-bromophenyl)methyl]-3-(5-hydroxypentyl)urea
CID 108899482
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
7-cyclopentylideneheptan-1-ol
CID 126684282

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea (CID 108913619) is 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea is O=C(NC=C1CCCC1)NCCCCCO.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea?
The InChIKey is PGKOZADAWBHOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h10,15H,1-9H2,(H2,13,14,16).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea?
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 108913619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).