1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone

C13H14O2 — CID 175880774

IUPAC1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
SMILESCC(=O)c1ccc2c(c1)C1(CCO2)CC1
InChIInChI=1S/C13H14O2/c1-9(14)10-2-3-12-11(8-10)13(4-5-13)6-7-15-12/h2-3,8H,4-7H2,1H3
InChIKeyMYCLJFVCRFEIJI-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.70
Rot. Bonds1

About 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone

1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone (PubChem CID 175880774) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone.

Molecular Properties

Compound Name1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
PubChem CID175880774
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
SMILESCC(=O)c1ccc2c(c1)C1(CCO2)CC1
InChIInChI=1S/C13H14O2/c1-9(14)10-2-3-12-11(8-10)13(4-5-13)6-7-15-12/h2-3,8H,4-7H2,1H3
InChIKeyMYCLJFVCRFEIJI-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone?
The IUPAC name of 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone (CID 175880774) is 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone.
What is the SMILES notation for 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone?
The canonical SMILES for 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone is CC(=O)c1ccc2c(c1)C1(CCO2)CC1.
What is the InChIKey of 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone?
The InChIKey is MYCLJFVCRFEIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9(14)10-2-3-12-11(8-10)13(4-5-13)6-7-15-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone?
1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone has a molecular weight of 202.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone is sourced from PubChem (CID 175880774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).