9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one

C15H16N2O — CID 115043760

IUPAC9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one
SMILESCC(C)c1[nH]c(=O)cc2c3ccccc3n(C)c12
InChIInChI=1S/C15H16N2O/c1-9(2)14-15-11(8-13(18)16-14)10-6-4-5-7-12(10)17(15)3/h4-9H,1-3H3,(H,16,18)
InChIKeyFBYWEEGBPMCUSI-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.14
Rot. Bonds1

About 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one

9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one (PubChem CID 115043760) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one
PubChem CID115043760
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one
SMILESCC(C)c1[nH]c(=O)cc2c3ccccc3n(C)c12
InChIInChI=1S/C15H16N2O/c1-9(2)14-15-11(8-13(18)16-14)10-6-4-5-7-12(10)17(15)3/h4-9H,1-3H3,(H,16,18)
InChIKeyFBYWEEGBPMCUSI-UHFFFAOYSA-N
XLogP3.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole;9-methylcarbazole
CID 142567226
5,11-dimethylbenzo[a]carbazole
CID 58410472
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
CID 14082276
9,17,27-trimethyl-9,14,24-triazaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13(18),16,20,23(28),26-decaene-12,15,19,22,25,29-hexone
CID 11202896
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
ethane;bis(9-methylcarbazole)
CID 159710949
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
5-ethyl-6-methyl-2,3-dihydropyridazino[4,5-b]carbazole-1,4-dione
CID 3042496
ethane;9-methylcarbazole;triphenylene
CID 142356751

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one?
The IUPAC name of 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one (CID 115043760) is 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one.
What is the SMILES notation for 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one?
The canonical SMILES for 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one is CC(C)c1[nH]c(=O)cc2c3ccccc3n(C)c12.
What is the InChIKey of 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one?
The InChIKey is FBYWEEGBPMCUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9(2)14-15-11(8-13(18)16-14)10-6-4-5-7-12(10)17(15)3/h4-9H,1-3H3,(H,16,18).
What are the key properties of 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one?
9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one has a molecular weight of 240.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115043760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).