1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one

C11H16O2 — CID 73040180

IUPAC1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESCOCC12CCC(CC1=O)C21CC1
InChIInChI=1S/C11H16O2/c1-13-7-11-3-2-8(6-9(11)12)10(11)4-5-10/h8H,2-7H2,1H3
InChIKeyMXTDCSWDEJKTFK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.78
Rot. Bonds2

About 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one

1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (PubChem CID 73040180) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
PubChem CID73040180
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESCOCC12CCC(CC1=O)C21CC1
InChIInChI=1S/C11H16O2/c1-13-7-11-3-2-8(6-9(11)12)10(11)4-5-10/h8H,2-7H2,1H3
InChIKeyMXTDCSWDEJKTFK-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-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

1-Hydroxymethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 572679
3-(Hydroxymethyl)-1,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 14080459
Methyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 373311
Ethyl 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 519961
(1S,4R,5R)-4-(hydroxymethyl)-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 45096398
3-(Hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 271740
Acetic acid 7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethyl ester
CID 539803
(1R,4R)-1-hydroxymethyl-7,7-dimethyl-bicyclo[2.2.1]heptan-2-one
CID 11171204
1-(Hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-one
CID 85385331
(3R,4S,5R)-4-methoxy-3-methylspiro[4.4]nonan-9-one
CID 15402403
(3R,5S,9R)-9-methoxy-3-methylspiro[4.4]nonan-4-one
CID 15402412
3-(Methoxyacetyl)-6,6-dimethylbicyclo[3.1.0]hexane
CID 23268218

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The IUPAC name of 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (CID 73040180) is 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.
What is the SMILES notation for 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The canonical SMILES for 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is COCC12CCC(CC1=O)C21CC1.
What is the InChIKey of 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The InChIKey is MXTDCSWDEJKTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-7-11-3-2-8(6-9(11)12)10(11)4-5-10/h8H,2-7H2,1H3.
What are the key properties of 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is sourced from PubChem (CID 73040180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).