1-cyclopropylpropan-2-one

C6H10O — CID 537025

IUPAC1-cyclopropylpropan-2-one
SMILESCC(=O)CC1CC1
InChIInChI=1S/C6H10O/c1-5(7)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyCTNXHXGIKSAADL-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.38
Rot. Bonds2

About 1-cyclopropylpropan-2-one

1-cyclopropylpropan-2-one (PubChem CID 537025) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-cyclopropylpropan-2-one.

Molecular Properties

Compound Name1-cyclopropylpropan-2-one
PubChem CID537025
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-cyclopropylpropan-2-one
SMILESCC(=O)CC1CC1
InChIInChI=1S/C6H10O/c1-5(7)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyCTNXHXGIKSAADL-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl Isobutyl Ketone
CID 7909
5-Methyl-2-hexanone
CID 8034
5-Methyl-2,3-hexanedione
CID 26204
5-Methylhexan-3-one
CID 12187
4-Methyl-2-hexanone
CID 7754
2-Methyl-3-hexanone
CID 23847
Cyclopropyl methyl ketone
CID 13004
3-Methylhexan-2-one
CID 102846
5-Methyl-2,4-hexanedione (enol)
CID 138984
1-Cyclopropylpropan-1-one
CID 549699
4-Methylhexan-3-one
CID 86501
1-(2-Methylcyclopropyl)ethan-1-one
CID 136726

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpropan-2-one?
The IUPAC name of 1-cyclopropylpropan-2-one (CID 537025) is 1-cyclopropylpropan-2-one.
What is the SMILES notation for 1-cyclopropylpropan-2-one?
The canonical SMILES for 1-cyclopropylpropan-2-one is CC(=O)CC1CC1.
What is the InChIKey of 1-cyclopropylpropan-2-one?
The InChIKey is CTNXHXGIKSAADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5(7)4-6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 1-cyclopropylpropan-2-one?
1-cyclopropylpropan-2-one has a molecular weight of 98.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpropan-2-one is sourced from PubChem (CID 537025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).