1-methyl-9H-pyrano[3,4-b]indol-3-one

C12H9NO2 — CID 5240913

IUPAC1-methyl-9H-pyrano[3,4-b]indol-3-one
SMILESCc1oc(=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9NO2/c1-7-12-9(6-11(14)15-7)8-4-2-3-5-10(8)13-12/h2-6,13H,1H3
InChIKeyVTQRQCAOWIROBL-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.58
Rot. Bonds

About 1-methyl-9H-pyrano[3,4-b]indol-3-one

1-methyl-9H-pyrano[3,4-b]indol-3-one (PubChem CID 5240913) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-methyl-9H-pyrano[3,4-b]indol-3-one.

Molecular Properties

Compound Name1-methyl-9H-pyrano[3,4-b]indol-3-one
PubChem CID5240913
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name1-methyl-9H-pyrano[3,4-b]indol-3-one
SMILESCc1oc(=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9NO2/c1-7-12-9(6-11(14)15-7)8-4-2-3-5-10(8)13-12/h2-6,13H,1H3
InChIKeyVTQRQCAOWIROBL-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

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Related Compounds

2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
(e)-(2-Oxo-1,2-dihydroindol-3-ylidene)acetic acid methyl ester
CID 806108
(E)-ethyl 2-(2-oxoindolin-3-ylidene)acetate
CID 10998461
Ethyl 2-(2-oxo-3-indolinylidene)acetate
CID 6045897
tert-butyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 102357147
Acetamide, N-[4-[(6-methyl-2-oxo-2H-pyran-4-yl)ethynyl]phenyl]-
CID 12036012
ST50805151
CID 343420
Methyl 3-(2-acetamidophenyl)prop-2-enoate
CID 54153883
ethyl (E)-3-(2-acetamidophenyl)prop-2-enoate
CID 11085678
Pyrano[3,4-b]indol-3-one
CID 53844546
ethyl (E)-4,4,4-trifluoro-3-(2-methylanilino)but-2-enoate
CID 11357785
ethyl (E)-3-(2-ethylanilino)-4,4,4-trifluorobut-2-enoate
CID 166437006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrano[3,4-b]indol-3-one?
The IUPAC name of 1-methyl-9H-pyrano[3,4-b]indol-3-one (CID 5240913) is 1-methyl-9H-pyrano[3,4-b]indol-3-one.
What is the SMILES notation for 1-methyl-9H-pyrano[3,4-b]indol-3-one?
The canonical SMILES for 1-methyl-9H-pyrano[3,4-b]indol-3-one is Cc1oc(=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methyl-9H-pyrano[3,4-b]indol-3-one?
The InChIKey is VTQRQCAOWIROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-7-12-9(6-11(14)15-7)8-4-2-3-5-10(8)13-12/h2-6,13H,1H3.
What are the key properties of 1-methyl-9H-pyrano[3,4-b]indol-3-one?
1-methyl-9H-pyrano[3,4-b]indol-3-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 1-methyl-9H-pyrano[3,4-b]indol-3-one is sourced from PubChem (CID 5240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).