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

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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).