1-(3-cyclobutylpropyl)cyclopentene

C12H20 — CID 147990269

IUPAC1-(3-cyclobutylpropyl)cyclopentene
SMILESC1=C(CCCC2CCC2)CCC1
InChIInChI=1S/C12H20/c1-2-6-11(5-1)7-3-8-12-9-4-10-12/h5,12H,1-4,6-10H2
InChIKeyIUXUMRYIYUKQIA-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-cyclobutylpropyl)cyclopentene

1-(3-cyclobutylpropyl)cyclopentene (PubChem CID 147990269) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(3-cyclobutylpropyl)cyclopentene.

Molecular Properties

Compound Name1-(3-cyclobutylpropyl)cyclopentene
PubChem CID147990269
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(3-cyclobutylpropyl)cyclopentene
SMILESC1=C(CCCC2CCC2)CCC1
InChIInChI=1S/C12H20/c1-2-6-11(5-1)7-3-8-12-9-4-10-12/h5,12H,1-4,6-10H2
InChIKeyIUXUMRYIYUKQIA-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-(4-bromobutyl)cyclopentene
CID 14243708
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
N-(cyclohexylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762872
prop-2-enylcyclopentane;1-prop-2-enylcyclopentene;propylcyclopentane;1-propylcyclopentene
CID 157231864
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817
3-[2-(cyclohexen-1-yl)ethyl]azetidine
CID 131181697
7-(cyclopenten-1-yl)heptanoic acid
CID 23035884
1-butylcyclononene
CID 56981158
1-(2-cycloheptylethyl)-4-hexylcycloheptene
CID 91180129
5-cyclobutylpentylcyclobutane
CID 173228999
1-pentylcyclododecene
CID 150654776

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylpropyl)cyclopentene?
The IUPAC name of 1-(3-cyclobutylpropyl)cyclopentene (CID 147990269) is 1-(3-cyclobutylpropyl)cyclopentene.
What is the SMILES notation for 1-(3-cyclobutylpropyl)cyclopentene?
The canonical SMILES for 1-(3-cyclobutylpropyl)cyclopentene is C1=C(CCCC2CCC2)CCC1.
What is the InChIKey of 1-(3-cyclobutylpropyl)cyclopentene?
The InChIKey is IUXUMRYIYUKQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-6-11(5-1)7-3-8-12-9-4-10-12/h5,12H,1-4,6-10H2.
What are the key properties of 1-(3-cyclobutylpropyl)cyclopentene?
1-(3-cyclobutylpropyl)cyclopentene has a molecular weight of 164.29 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylpropyl)cyclopentene is sourced from PubChem (CID 147990269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).