cyclopropyl-(1-methylcyclopropyl)methanone

C8H12O — CID 14691743

IUPACcyclopropyl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2CC2)CC1
InChIInChI=1S/C8H12O/c1-8(4-5-8)7(9)6-2-3-6/h6H,2-5H2,1H3
InChIKeyYMMNIACJBNJTSU-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.77
Rot. Bonds2

About cyclopropyl-(1-methylcyclopropyl)methanone

cyclopropyl-(1-methylcyclopropyl)methanone (PubChem CID 14691743) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is cyclopropyl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-methylcyclopropyl)methanone
PubChem CID14691743
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Namecyclopropyl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2CC2)CC1
InChIInChI=1S/C8H12O/c1-8(4-5-8)7(9)6-2-3-6/h6H,2-5H2,1H3
InChIKeyYMMNIACJBNJTSU-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(1-methylcyclopropyl)methanone
CID 13291666
1-Cyclopropyl-3,3-dimethylbutan-1-one
CID 11263536
1-(1-(Propan-2-yl)cyclopropyl)ethan-1-one
CID 23455785
1-Cyclopropyl-2,2-dimethyl-1-propanone
CID 13234843
Bis(1,2-dimethylcyclopropyl)methanone
CID 68522552
Dispiro[2.0.2.1]heptan-7-one
CID 129653510
Tetramethylcyclopropyl ketone
CID 129846203
1-(Bicyclo[1.1.0]butan-1-yl)-2-methylpropan-1-one
CID 157820625
3,3,5-Trimethylheptan-4-one
CID 71366222
1-[1-(Fluoromethyl)cyclopropyl]-2-methylpropan-1-one
CID 89692002
1-[(1R,2R)-2-fluorocyclopropyl]-2,2-dimethylbutan-1-one
CID 126500001
3,3,5-Triethylheptan-4-one
CID 129645361

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methylcyclopropyl)methanone?
The IUPAC name of cyclopropyl-(1-methylcyclopropyl)methanone (CID 14691743) is cyclopropyl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for cyclopropyl-(1-methylcyclopropyl)methanone?
The canonical SMILES for cyclopropyl-(1-methylcyclopropyl)methanone is CC1(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-(1-methylcyclopropyl)methanone?
The InChIKey is YMMNIACJBNJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8(4-5-8)7(9)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of cyclopropyl-(1-methylcyclopropyl)methanone?
cyclopropyl-(1-methylcyclopropyl)methanone has a molecular weight of 124.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 14691743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).