1-propan-2-ylbicyclo[1.1.0]butane

C7H12 — CID 21022524

IUPAC1-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C12CC1C2
InChIInChI=1S/C7H12/c1-5(2)7-3-6(7)4-7/h5-6H,3-4H2,1-2H3
InChIKeyKFDSQLIMTUNMQY-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds1

About 1-propan-2-ylbicyclo[1.1.0]butane

1-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 21022524) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-propan-2-ylbicyclo[1.1.0]butane
PubChem CID21022524
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C12CC1C2
InChIInChI=1S/C7H12/c1-5(2)7-3-6(7)4-7/h5-6H,3-4H2,1-2H3
InChIKeyKFDSQLIMTUNMQY-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
cumene;1-propan-2-ylbicyclo[1.1.0]butane
CID 176998151
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 144912446
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
CID 138736701
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
CID 166500332
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane
CID 91566423

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 1-propan-2-ylbicyclo[1.1.0]butane (CID 21022524) is 1-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 1-propan-2-ylbicyclo[1.1.0]butane is CC(C)C12CC1C2.
What is the InChIKey of 1-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is KFDSQLIMTUNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5(2)7-3-6(7)4-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylbicyclo[1.1.0]butane?
1-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 21022524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).