3-methoxy(213C)cyclohex-2-en-1-one

C7H10O2 — CID 11789224

IUPAC3-methoxy(213C)cyclohex-2-en-1-one
SMILESCOC1=[13CH]C(=O)CCC1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3/i5+1
InChIKeyJFTPIEHHCQPVCS-HOSYLAQJSA-N
MW127.15 g/mol
LogP1.27
Rot. Bonds1

About 3-methoxy(213C)cyclohex-2-en-1-one

3-methoxy(213C)cyclohex-2-en-1-one (PubChem CID 11789224) has the molecular formula C7H10O2 and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-methoxy(213C)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy(213C)cyclohex-2-en-1-one
PubChem CID11789224
Molecular FormulaC7H10O2
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-methoxy(213C)cyclohex-2-en-1-one
SMILESCOC1=[13CH]C(=O)CCC1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3/i5+1
InChIKeyJFTPIEHHCQPVCS-HOSYLAQJSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy(213C)cyclohex-2-en-1-one?
The IUPAC name of 3-methoxy(213C)cyclohex-2-en-1-one (CID 11789224) is 3-methoxy(213C)cyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy(213C)cyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy(213C)cyclohex-2-en-1-one is COC1=[13CH]C(=O)CCC1.
What is the InChIKey of 3-methoxy(213C)cyclohex-2-en-1-one?
The InChIKey is JFTPIEHHCQPVCS-HOSYLAQJSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3/i5+1.
What are the key properties of 3-methoxy(213C)cyclohex-2-en-1-one?
3-methoxy(213C)cyclohex-2-en-1-one has a molecular weight of 127.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy(213C)cyclohex-2-en-1-one is sourced from PubChem (CID 11789224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).