4-methyl-9H-pyrano[2,3-b]indol-2-one

C12H9NO2 — CID 729413

IUPAC4-methyl-9H-pyrano[2,3-b]indol-2-one
SMILESCc1cc(=O)oc2[nH]c3ccccc3c12
InChIInChI=1S/C12H9NO2/c1-7-6-10(14)15-12-11(7)8-4-2-3-5-9(8)13-12/h2-6,13H,1H3
InChIKeySVKYQDMWTBAULP-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.58
Rot. Bonds

About 4-methyl-9H-pyrano[2,3-b]indol-2-one

4-methyl-9H-pyrano[2,3-b]indol-2-one (PubChem CID 729413) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-methyl-9H-pyrano[2,3-b]indol-2-one.

Molecular Properties

Compound Name4-methyl-9H-pyrano[2,3-b]indol-2-one
PubChem CID729413
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-methyl-9H-pyrano[2,3-b]indol-2-one
SMILESCc1cc(=O)oc2[nH]c3ccccc3c12
InChIInChI=1S/C12H9NO2/c1-7-6-10(14)15-12-11(7)8-4-2-3-5-9(8)13-12/h2-6,13H,1H3
InChIKeySVKYQDMWTBAULP-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-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
CID 102596896
dimethyltin;4-methylchromen-2-one
CID 175284443
9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 11708244
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
12-oxa-3,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10064156
6-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 132564019
14,29-dimethyl-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
CID 20679827
ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527
1,1-diaminourea;4-methylchromen-2-one
CID 174896620
10H-acridin-9-one;ethane
CID 91525380
2-methyl-9H-carbazole-1,4-diamine
CID 68823015

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9H-pyrano[2,3-b]indol-2-one?
The IUPAC name of 4-methyl-9H-pyrano[2,3-b]indol-2-one (CID 729413) is 4-methyl-9H-pyrano[2,3-b]indol-2-one.
What is the SMILES notation for 4-methyl-9H-pyrano[2,3-b]indol-2-one?
The canonical SMILES for 4-methyl-9H-pyrano[2,3-b]indol-2-one is Cc1cc(=O)oc2[nH]c3ccccc3c12.
What is the InChIKey of 4-methyl-9H-pyrano[2,3-b]indol-2-one?
The InChIKey is SVKYQDMWTBAULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-7-6-10(14)15-12-11(7)8-4-2-3-5-9(8)13-12/h2-6,13H,1H3.
What are the key properties of 4-methyl-9H-pyrano[2,3-b]indol-2-one?
4-methyl-9H-pyrano[2,3-b]indol-2-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 4-methyl-9H-pyrano[2,3-b]indol-2-one is sourced from PubChem (CID 729413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).