(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one

C9H14O2 — CID 10931654

IUPAC(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
SMILESCO[C@]1(C)C[C@@H]2CC[C@H]1C2=O
InChIInChI=1S/C9H14O2/c1-9(11-2)5-6-3-4-7(9)8(6)10/h6-7H,3-5H2,1-2H3/t6-,7-,9+/m0/s1
InChIKeySAPWANMKQXLSEA-ACLDMZEESA-N
MW154.21 g/mol
LogP1.39
Rot. Bonds1

About (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one

(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one (PubChem CID 10931654) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one.

Molecular Properties

Compound Name(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
PubChem CID10931654
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
SMILESCO[C@]1(C)C[C@@H]2CC[C@H]1C2=O
InChIInChI=1S/C9H14O2/c1-9(11-2)5-6-3-4-7(9)8(6)10/h6-7H,3-5H2,1-2H3/t6-,7-,9+/m0/s1
InChIKeySAPWANMKQXLSEA-ACLDMZEESA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one
CID 164650047
(1S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98048147
9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
CID 100914264
CID 11098796
CID 11098796
3-cyclopropyl-4-methoxy-4-methyl-2-tri(propan-2-yl)silylcyclobut-2-en-1-one
CID 101456802
(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
CID 23258337
O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
9-cyclopropyl-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridine-1,8-dione
CID 11997057

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one?
The IUPAC name of (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one (CID 10931654) is (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one.
What is the SMILES notation for (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one?
The canonical SMILES for (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one is CO[C@]1(C)C[C@@H]2CC[C@H]1C2=O.
What is the InChIKey of (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one?
The InChIKey is SAPWANMKQXLSEA-ACLDMZEESA-N. The full InChI is InChI=1S/C9H14O2/c1-9(11-2)5-6-3-4-7(9)8(6)10/h6-7H,3-5H2,1-2H3/t6-,7-,9+/m0/s1.
What are the key properties of (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one?
(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one has a molecular weight of 154.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one is sourced from PubChem (CID 10931654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).