7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde

C11H10O3 — CID 129157015

IUPAC7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde
SMILESCC1Cc2oc(=O)ccc2C=C1C=O
InChIInChI=1S/C11H10O3/c1-7-4-10-8(5-9(7)6-12)2-3-11(13)14-10/h2-3,5-7H,4H2,1H3
InChIKeyGPDGOVGFOZJRED-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.41
Rot. Bonds1

About 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde

7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde (PubChem CID 129157015) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde
PubChem CID129157015
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde
SMILESCC1Cc2oc(=O)ccc2C=C1C=O
InChIInChI=1S/C11H10O3/c1-7-4-10-8(5-9(7)6-12)2-3-11(13)14-10/h2-3,5-7H,4H2,1H3
InChIKeyGPDGOVGFOZJRED-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde?
The IUPAC name of 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde (CID 129157015) is 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde.
What is the SMILES notation for 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde?
The canonical SMILES for 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde is CC1Cc2oc(=O)ccc2C=C1C=O.
What is the InChIKey of 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde?
The InChIKey is GPDGOVGFOZJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-4-10-8(5-9(7)6-12)2-3-11(13)14-10/h2-3,5-7H,4H2,1H3.
What are the key properties of 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde?
7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde is sourced from PubChem (CID 129157015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).