9-methyl-3H-pyrano[3,2-e]indol-7-one

C12H9NO2 — CID 11708244

IUPAC9-methyl-3H-pyrano[3,2-e]indol-7-one
SMILESCc1cc(=O)oc2ccc3[nH]ccc3c12
InChIInChI=1S/C12H9NO2/c1-7-6-11(14)15-10-3-2-9-8(12(7)10)4-5-13-9/h2-6,13H,1H3
InChIKeyYLBBZYSJXKWECG-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.58
Rot. Bonds

About 9-methyl-3H-pyrano[3,2-e]indol-7-one

9-methyl-3H-pyrano[3,2-e]indol-7-one (PubChem CID 11708244) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 9-methyl-3H-pyrano[3,2-e]indol-7-one.

Molecular Properties

Compound Name9-methyl-3H-pyrano[3,2-e]indol-7-one
PubChem CID11708244
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name9-methyl-3H-pyrano[3,2-e]indol-7-one
SMILESCc1cc(=O)oc2ccc3[nH]ccc3c12
InChIInChI=1S/C12H9NO2/c1-7-6-11(14)15-10-3-2-9-8(12(7)10)4-5-13-9/h2-6,13H,1H3
InChIKeyYLBBZYSJXKWECG-UHFFFAOYSA-N
XLogP2.58
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 24994402
4-methyl-9H-pyrano[2,3-b]indol-2-one
CID 729413
6-iodo-5-methoxy-4-methylchromen-2-one
CID 121217791
18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
CID 11666843
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
5-methyl-4-propan-2-yl-1H-indole
CID 23058098
5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
CID 12857252
5-methoxy-4-methylchromen-2-one
CID 11286956
5-hydroxy-4-methyl-6-propanoylchromen-2-one
CID 44721131

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3H-pyrano[3,2-e]indol-7-one?
The IUPAC name of 9-methyl-3H-pyrano[3,2-e]indol-7-one (CID 11708244) is 9-methyl-3H-pyrano[3,2-e]indol-7-one.
What is the SMILES notation for 9-methyl-3H-pyrano[3,2-e]indol-7-one?
The canonical SMILES for 9-methyl-3H-pyrano[3,2-e]indol-7-one is Cc1cc(=O)oc2ccc3[nH]ccc3c12.
What is the InChIKey of 9-methyl-3H-pyrano[3,2-e]indol-7-one?
The InChIKey is YLBBZYSJXKWECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-7-6-11(14)15-10-3-2-9-8(12(7)10)4-5-13-9/h2-6,13H,1H3.
What are the key properties of 9-methyl-3H-pyrano[3,2-e]indol-7-one?
9-methyl-3H-pyrano[3,2-e]indol-7-one has a molecular weight of 199.21 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3H-pyrano[3,2-e]indol-7-one is sourced from PubChem (CID 11708244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).