2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone

C8H13ClO — CID 154814213

IUPAC2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
SMILESCCC[C@@H]1C[C@H]1C(=O)CCl
InChIInChI=1S/C8H13ClO/c1-2-3-6-4-7(6)8(10)5-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyKEOIXQTVJHYSPP-RNFRBKRXSA-N
MW160.64 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone

2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone (PubChem CID 154814213) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
PubChem CID154814213
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
SMILESCCC[C@@H]1C[C@H]1C(=O)CCl
InChIInChI=1S/C8H13ClO/c1-2-3-6-4-7(6)8(10)5-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyKEOIXQTVJHYSPP-RNFRBKRXSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
CID 118495999
1-[(1S,2R)-2-tetradecylcyclopropyl]hexan-1-one
CID 101388120
2-chloro-1-[(1S,2S)-2-methylcyclopropyl]ethanone
CID 93494094
1-but-1-en-2-yl-2-propylcyclopropane
CID 123489914
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
methyl 8-(2-octylcyclopropyl)-8-oxooctanoate
CID 543365
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
ethyl 2-(8-chlorooctyl)cyclopropane-1-carboxylate
CID 139889614
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone?
The IUPAC name of 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone (CID 154814213) is 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone.
What is the SMILES notation for 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone?
The canonical SMILES for 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone is CCC[C@@H]1C[C@H]1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone?
The InChIKey is KEOIXQTVJHYSPP-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13ClO/c1-2-3-6-4-7(6)8(10)5-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone?
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone has a molecular weight of 160.64 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone is sourced from PubChem (CID 154814213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).