(5R)-3-chloro-5-methylcyclohex-2-en-1-one

C7H9ClO — CID 643106

IUPAC(5R)-3-chloro-5-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C(Cl)C1
InChIInChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyRQWGKEUBPFDQRF-YFKPBYRVSA-N
MW144.60 g/mol
LogP2.11
Rot. Bonds

About (5R)-3-chloro-5-methylcyclohex-2-en-1-one

(5R)-3-chloro-5-methylcyclohex-2-en-1-one (PubChem CID 643106) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (5R)-3-chloro-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-chloro-5-methylcyclohex-2-en-1-one
PubChem CID643106
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(5R)-3-chloro-5-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C(Cl)C1
InChIInChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyRQWGKEUBPFDQRF-YFKPBYRVSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-5-methylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-chloro-5-methylcyclohex-2-en-1-one (CID 643106) is (5R)-3-chloro-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-chloro-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-chloro-5-methylcyclohex-2-en-1-one is C[C@@H]1CC(=O)C=C(Cl)C1.
What is the InChIKey of (5R)-3-chloro-5-methylcyclohex-2-en-1-one?
The InChIKey is RQWGKEUBPFDQRF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5R)-3-chloro-5-methylcyclohex-2-en-1-one?
(5R)-3-chloro-5-methylcyclohex-2-en-1-one has a molecular weight of 144.60 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).