(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one

C10H15ClO — CID 134953462

IUPAC(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
SMILESC=C(Cl)C[C@]1(CC)CCCC1=O
InChIInChI=1S/C10H15ClO/c1-3-10(7-8(2)11)6-4-5-9(10)12/h2-7H2,1H3/t10-/m0/s1
InChIKeyAMCMPCLOGJZOQP-JTQLQIEISA-N
MW186.68 g/mol
LogP3.28
Rot. Bonds3

About (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one

(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one (PubChem CID 134953462) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
PubChem CID134953462
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
SMILESC=C(Cl)C[C@]1(CC)CCCC1=O
InChIInChI=1S/C10H15ClO/c1-3-10(7-8(2)11)6-4-5-9(10)12/h2-7H2,1H3/t10-/m0/s1
InChIKeyAMCMPCLOGJZOQP-JTQLQIEISA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
CID 10442347
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
CID 90921399
3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoic acid
CID 54536642
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
1-ethyl-2-oxocyclopentane-1-carboxylate
CID 23218203
(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 130618180
methyl 2-(2-oxo-1-propylcyclohexyl)acetate
CID 18945516
2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
CID 71323020
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 53411153
(4S)-4-(2-chloroprop-2-enyl)-4-methyl-1,5-dioxaspiro[5.5]undecan-3-one
CID 71530889
2,2-bis[(dipropylamino)methyl]cyclohexan-1-one
CID 154238302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one?
The IUPAC name of (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one (CID 134953462) is (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one?
The canonical SMILES for (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one is C=C(Cl)C[C@]1(CC)CCCC1=O.
What is the InChIKey of (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one?
The InChIKey is AMCMPCLOGJZOQP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15ClO/c1-3-10(7-8(2)11)6-4-5-9(10)12/h2-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one?
(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one has a molecular weight of 186.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one is sourced from PubChem (CID 134953462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).