1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one

C10H14Cl2O — CID 175320381

IUPAC1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
SMILESCCC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H14Cl2O/c1-4-7(13)9-6(5-8(11)12)10(9,2)3/h5-6,9H,4H2,1-3H3
InChIKeyNKQAENJTZMCKSX-UHFFFAOYSA-N
MW221.13 g/mol
LogP3.56
Rot. Bonds3

About 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one

1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one (PubChem CID 175320381) has the molecular formula C10H14Cl2O and a molecular weight of 221.13 g/mol. Its IUPAC name is 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
PubChem CID175320381
Molecular FormulaC10H14Cl2O
Molecular Weight221.13 g/mol
Exact Mass220.04
IUPAC Name1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
SMILESCCC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H14Cl2O/c1-4-7(13)9-6(5-8(11)12)10(9,2)3/h5-6,9H,4H2,1-3H3
InChIKeyNKQAENJTZMCKSX-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide
CID 125400178
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
CID 170844573
CID 170844573
sodium cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 158637664
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
CID 125314568
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 677009
1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone
CID 101253634
ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
2,2-dimethyl-3-(2,4,4-trichlorobuta-1,3-dienyl)cyclopropane-1-carboxylic acid
CID 54466422
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one?
The IUPAC name of 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one (CID 175320381) is 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one.
What is the SMILES notation for 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one?
The canonical SMILES for 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one is CCC(=O)C1C(C=C(Cl)Cl)C1(C)C.
What is the InChIKey of 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one?
The InChIKey is NKQAENJTZMCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O/c1-4-7(13)9-6(5-8(11)12)10(9,2)3/h5-6,9H,4H2,1-3H3.
What are the key properties of 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one?
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one has a molecular weight of 221.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one is sourced from PubChem (CID 175320381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).