1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea

C14H26N2O2 — CID 108913992

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
SMILESC/C(=C\NC(=O)NCCCCCO)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12(13-7-3-4-8-13)11-16-14(18)15-9-5-2-6-10-17/h11,13,17H,2-10H2,1H3,(H2,15,16,18)/b12-11+
InChIKeyLAFAFCKERMTDBO-VAWYXSNFSA-N
MW254.37 g/mol
LogP2.54
Rot. Bonds7

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea (PubChem CID 108913992) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
PubChem CID108913992
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
SMILESC/C(=C\NC(=O)NCCCCCO)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12(13-7-3-4-8-13)11-16-14(18)15-9-5-2-6-10-17/h11,13,17H,2-10H2,1H3,(H2,15,16,18)/b12-11+
InChIKeyLAFAFCKERMTDBO-VAWYXSNFSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.54
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-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913903
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
CID 108915612
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
CID 108913619
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea (CID 108913992) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea is C/C(=C\NC(=O)NCCCCCO)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea?
The InChIKey is LAFAFCKERMTDBO-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(13-7-3-4-8-13)11-16-14(18)15-9-5-2-6-10-17/h11,13,17H,2-10H2,1H3,(H2,15,16,18)/b12-11+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 108913992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).