1-(2-but-3-enoxyethyl)-3-cyclopentylurea

C12H22N2O2 — CID 103853130

IUPAC1-(2-but-3-enoxyethyl)-3-cyclopentylurea
SMILESC=CCCOCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-9-16-10-8-13-12(15)14-11-6-4-5-7-11/h2,11H,1,3-10H2,(H2,13,14,15)
InChIKeyBNYJXOFSWRXECL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.82
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-3-cyclopentylurea

1-(2-but-3-enoxyethyl)-3-cyclopentylurea (PubChem CID 103853130) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-cyclopentylurea
PubChem CID103853130
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-but-3-enoxyethyl)-3-cyclopentylurea
SMILESC=CCCOCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-9-16-10-8-13-12(15)14-11-6-4-5-7-11/h2,11H,1,3-10H2,(H2,13,14,15)
InChIKeyBNYJXOFSWRXECL-UHFFFAOYSA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
2-but-3-enoxyethylurea
CID 103852774
2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
CID 106398080
N-(2-but-3-enoxyethyl)-3-piperidin-2-ylpropanamide
CID 114183723
(E)-4-(2-but-3-enoxyethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 114184077
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
1-cyclopentyl-3-propylurea
CID 14343339

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-cyclopentylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-cyclopentylurea (CID 103853130) is 1-(2-but-3-enoxyethyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-cyclopentylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-cyclopentylurea is C=CCCOCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-cyclopentylurea?
The InChIKey is BNYJXOFSWRXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-9-16-10-8-13-12(15)14-11-6-4-5-7-11/h2,11H,1,3-10H2,(H2,13,14,15).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-cyclopentylurea?
1-(2-but-3-enoxyethyl)-3-cyclopentylurea has a molecular weight of 226.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-cyclopentylurea is sourced from PubChem (CID 103853130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).