bis(1-methylcyclopropyl)methanone

C9H14O — CID 13291666

IUPACbis(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C9H14O/c1-8(3-4-8)7(10)9(2)5-6-9/h3-6H2,1-2H3
InChIKeyHYZGPGPQOVDABV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds2

About bis(1-methylcyclopropyl)methanone

bis(1-methylcyclopropyl)methanone (PubChem CID 13291666) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is bis(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Namebis(1-methylcyclopropyl)methanone
PubChem CID13291666
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namebis(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C9H14O/c1-8(3-4-8)7(10)9(2)5-6-9/h3-6H2,1-2H3
InChIKeyHYZGPGPQOVDABV-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyldicyclopropylketone
CID 14691743
Dispiro[2.1.2.1]octan-4-one
CID 15329627
Dispiro[2.0.2.1]heptan-7-one
CID 129653510
1-(Bicyclo[1.1.0]butan-1-yl)-2-methylpropan-1-one
CID 157820625
Bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
1-[(1R,2R)-2-fluorocyclopropyl]-2,2-dimethylbutan-1-one
CID 126500001
1-[1-(Fluoromethyl)cyclopropyl]-2-methylbutan-1-one
CID 130457312
1-(1-Cyclopropylcyclopropyl)ethan-1-one
CID 11469075
2,2-Dimethyl-1-(1-methylcyclopropyl)propan-1-one
CID 14691733
1-(1-Propanoylcyclopropyl)propan-1-one
CID 5243904
1-[1-(Cyclopropanecarbonyl)cyclopropyl]ethanone
CID 13154964
Bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone
CID 158810556

Frequently Asked Questions

What is the IUPAC name of bis(1-methylcyclopropyl)methanone?
The IUPAC name of bis(1-methylcyclopropyl)methanone (CID 13291666) is bis(1-methylcyclopropyl)methanone.
What is the SMILES notation for bis(1-methylcyclopropyl)methanone?
The canonical SMILES for bis(1-methylcyclopropyl)methanone is CC1(C(=O)C2(C)CC2)CC1.
What is the InChIKey of bis(1-methylcyclopropyl)methanone?
The InChIKey is HYZGPGPQOVDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(3-4-8)7(10)9(2)5-6-9/h3-6H2,1-2H3.
What are the key properties of bis(1-methylcyclopropyl)methanone?
bis(1-methylcyclopropyl)methanone has a molecular weight of 138.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylcyclopropyl)methanone is sourced from PubChem (CID 13291666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).