(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one

C9H12O2 — CID 124553090

IUPAC(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESCOC[C@@H]1[C@H]2C=C[C@H]1C(=O)C2
InChIInChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyFAQMUJPTADIXNH-XLPZGREQSA-N
MW152.19 g/mol
LogP1.02
Rot. Bonds2

About (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one

(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one (PubChem CID 124553090) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one.

Molecular Properties

Compound Name(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
PubChem CID124553090
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESCOC[C@@H]1[C@H]2C=C[C@H]1C(=O)C2
InChIInChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyFAQMUJPTADIXNH-XLPZGREQSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
CID 130037715
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 130145119
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 59748363
(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
CID 124585030
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
CID 71376206
5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
CID 59748219
(3aR,6aS)-5-hydroxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828472
9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 101038950
2-acetyl-5-(methoxymethyl)cyclohexane-1,3-dione
CID 130348195

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The IUPAC name of (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one (CID 124553090) is (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one.
What is the SMILES notation for (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The canonical SMILES for (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one is COC[C@@H]1[C@H]2C=C[C@H]1C(=O)C2.
What is the InChIKey of (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
The InChIKey is FAQMUJPTADIXNH-XLPZGREQSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one?
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one is sourced from PubChem (CID 124553090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).