1-(cyclobutylmethyl)bicyclo[3.2.0]heptane

C12H20 — CID 163703083

IUPAC1-(cyclobutylmethyl)bicyclo[3.2.0]heptane
SMILESC1CC(CC23CCCC2CC3)C1
InChIInChI=1S/C12H20/c1-3-10(4-1)9-12-7-2-5-11(12)6-8-12/h10-11H,1-9H2
InChIKeyKCSLYYSSNBYECT-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.76
Rot. Bonds2

About 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane

1-(cyclobutylmethyl)bicyclo[3.2.0]heptane (PubChem CID 163703083) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)bicyclo[3.2.0]heptane
PubChem CID163703083
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(cyclobutylmethyl)bicyclo[3.2.0]heptane
SMILESC1CC(CC23CCCC2CC3)C1
InChIInChI=1S/C12H20/c1-3-10(4-1)9-12-7-2-5-11(12)6-8-12/h10-11H,1-9H2
InChIKeyKCSLYYSSNBYECT-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(3aS,7aR)-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethane-1,1-diol
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1-ethylbicyclo[2.2.0]hexane
CID 90977886
[1-(chloromethyl)cyclobutyl]cycloheptane
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1-(iodomethyl)bicyclo[3.1.0]hexane
CID 147683583
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
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2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
2-(1-bicyclo[3.1.0]hexanyl)ethanamine
CID 21391834
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
(1-cyclopropylcyclooctyl)methanamine
CID 130515109
6-(cyclobutylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 103166432
1-(cycloheptylmethyl)cyclopropan-1-amine
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CID 142637156

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane?
The IUPAC name of 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane (CID 163703083) is 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane.
What is the SMILES notation for 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane?
The canonical SMILES for 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane is C1CC(CC23CCCC2CC3)C1.
What is the InChIKey of 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane?
The InChIKey is KCSLYYSSNBYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-10(4-1)9-12-7-2-5-11(12)6-8-12/h10-11H,1-9H2.
What are the key properties of 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane?
1-(cyclobutylmethyl)bicyclo[3.2.0]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)bicyclo[3.2.0]heptane is sourced from PubChem (CID 163703083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).