1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea

C13H22N2O2 — CID 127648179

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
SMILESO=C(NCCC1=CCCC1)NC1CCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-12-6-9-17-10-7-12)14-8-5-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H2,14,15,16)
InChIKeyAIKCUUILPCCFRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.97
Rot. Bonds4

About 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea

1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 127648179) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
PubChem CID127648179
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
SMILESO=C(NCCC1=CCCC1)NC1CCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-12-6-9-17-10-7-12)14-8-5-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H2,14,15,16)
InChIKeyAIKCUUILPCCFRQ-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129476576
4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 106178328
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] oxane-4-carboxylate
CID 55374912
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea (CID 127648179) is 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea is O=C(NCCC1=CCCC1)NC1CCOCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is AIKCUUILPCCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-12-6-9-17-10-7-12)14-8-5-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H2,14,15,16).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea?
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 127648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).