3-cycloheptyl-1-cyclopropylpropan-1-one

C13H22O — CID 82923813

IUPAC3-cycloheptyl-1-cyclopropylpropan-1-one
SMILESO=C(CCC1CCCCCC1)C1CC1
InChIInChI=1S/C13H22O/c14-13(12-8-9-12)10-7-11-5-3-1-2-4-6-11/h11-12H,1-10H2
InChIKeyTVXCTRPNCDNVOA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds4

About 3-cycloheptyl-1-cyclopropylpropan-1-one

3-cycloheptyl-1-cyclopropylpropan-1-one (PubChem CID 82923813) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-cycloheptyl-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-cycloheptyl-1-cyclopropylpropan-1-one
PubChem CID82923813
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-cycloheptyl-1-cyclopropylpropan-1-one
SMILESO=C(CCC1CCCCCC1)C1CC1
InChIInChI=1S/C13H22O/c14-13(12-8-9-12)10-7-11-5-3-1-2-4-6-11/h11-12H,1-10H2
InChIKeyTVXCTRPNCDNVOA-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
3-(azetidin-3-yl)-1-cyclopropylpropan-1-one
CID 58222834
1-cycloheptylpent-4-yn-1-one
CID 65398839
3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 114191946
4-cyclohexyl-2-oxobutanamide
CID 69253318
acetyl 3-cyclohexylpropanoate
CID 175292524
sodium 3-cyclopentylpropanoate
CID 162201470
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
1-cycloheptylbutan-1-one
CID 54353743
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-cyclopropylpropan-1-one?
The IUPAC name of 3-cycloheptyl-1-cyclopropylpropan-1-one (CID 82923813) is 3-cycloheptyl-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-cycloheptyl-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-cycloheptyl-1-cyclopropylpropan-1-one is O=C(CCC1CCCCCC1)C1CC1.
What is the InChIKey of 3-cycloheptyl-1-cyclopropylpropan-1-one?
The InChIKey is TVXCTRPNCDNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-13(12-8-9-12)10-7-11-5-3-1-2-4-6-11/h11-12H,1-10H2.
What are the key properties of 3-cycloheptyl-1-cyclopropylpropan-1-one?
3-cycloheptyl-1-cyclopropylpropan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-cyclopropylpropan-1-one is sourced from PubChem (CID 82923813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).