7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one

C9H12O2 — CID 54161074

IUPAC7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one
SMILESCOCC1C2=CCC1CC2=O
InChIInChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h3,6,8H,2,4-5H2,1H3
InChIKeyOOLFBCWOSBOSBA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.17
Rot. Bonds2

About 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one

7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one (PubChem CID 54161074) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one.

Molecular Properties

Compound Name7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one
PubChem CID54161074
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one
SMILESCOCC1C2=CCC1CC2=O
InChIInChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h3,6,8H,2,4-5H2,1H3
InChIKeyOOLFBCWOSBOSBA-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bicyclo[2.2.1]hept-5-en-2-one, 7-(methoxymethyl)-
CID 4179838
(1S,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 92286539
7-Syn-methoxymethylnorborn-5-en-2-one
CID 104372
4-Oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
CID 91084393
(1R,4S,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 101982162
(1R,4S)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 20055570
7-Syn-methoxymethyl-5-norbornen-2-one
CID 45045314
(1S,4R,7S)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 92286543
4-(methoxymethyl)-5-methyl-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 135274360
1-Methoxy-1,2,3,3a,4,7a-hexahydroinden-5-one
CID 141050008
(4R,5R)-4-(1-methoxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 157519458
(1R,4S,7S)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 92140781

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one?
The IUPAC name of 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one (CID 54161074) is 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one.
What is the SMILES notation for 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one?
The canonical SMILES for 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one is COCC1C2=CCC1CC2=O.
What is the InChIKey of 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one?
The InChIKey is OOLFBCWOSBOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h3,6,8H,2,4-5H2,1H3.
What are the key properties of 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one?
7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one is sourced from PubChem (CID 54161074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).