1-cyclopentyl-3-hex-5-ynylurea

C12H20N2O — CID 103757515

IUPAC1-cyclopentyl-3-hex-5-ynylurea
SMILESC#CCCCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-13-12(15)14-11-8-5-6-9-11/h1,11H,3-10H2,(H2,13,14,15)
InChIKeyJHBXWNOXOWMKOC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopentyl-3-hex-5-ynylurea

1-cyclopentyl-3-hex-5-ynylurea (PubChem CID 103757515) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-hex-5-ynylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-hex-5-ynylurea
PubChem CID103757515
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyclopentyl-3-hex-5-ynylurea
SMILESC#CCCCCNC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-13-12(15)14-11-8-5-6-9-11/h1,11H,3-10H2,(H2,13,14,15)
InChIKeyJHBXWNOXOWMKOC-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
2-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106215949
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
1-cyclopentyl-3-propylurea
CID 14343339
1-hex-5-ynyl-3-methylurea
CID 103757181
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
4-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106216079
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-hex-5-ynylurea?
The IUPAC name of 1-cyclopentyl-3-hex-5-ynylurea (CID 103757515) is 1-cyclopentyl-3-hex-5-ynylurea.
What is the SMILES notation for 1-cyclopentyl-3-hex-5-ynylurea?
The canonical SMILES for 1-cyclopentyl-3-hex-5-ynylurea is C#CCCCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-hex-5-ynylurea?
The InChIKey is JHBXWNOXOWMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-7-10-13-12(15)14-11-8-5-6-9-11/h1,11H,3-10H2,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-hex-5-ynylurea?
1-cyclopentyl-3-hex-5-ynylurea has a molecular weight of 208.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-hex-5-ynylurea is sourced from PubChem (CID 103757515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).