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

C16H20N2O — CID 113089930

IUPAC2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
SMILESCC(C)C(=O)N1CCc2c(n(C)c3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-11(2)16(19)18-9-8-13-12-6-4-5-7-14(12)17(3)15(13)10-18/h4-7,11H,8-10H2,1-3H3
InChIKeySCUFSBDZKRAPRV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.72
Rot. Bonds1

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

2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one (PubChem CID 113089930) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
PubChem CID113089930
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
SMILESCC(C)C(=O)N1CCc2c(n(C)c3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-11(2)16(19)18-9-8-13-12-6-4-5-7-14(12)17(3)15(13)10-18/h4-7,11H,8-10H2,1-3H3
InChIKeySCUFSBDZKRAPRV-UHFFFAOYSA-N
XLogP2.72
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
CID 6539922
N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 113089986
2-(4-chlorophenoxy)-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 113089964
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089107
[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine
CID 174791036
5-(2-methylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 175148722
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 43866445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one (CID 113089930) is 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one is CC(C)C(=O)N1CCc2c(n(C)c3ccccc23)C1.
What is the InChIKey of 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one?
The InChIKey is SCUFSBDZKRAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)16(19)18-9-8-13-12-6-4-5-7-14(12)17(3)15(13)10-18/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one?
2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one is sourced from PubChem (CID 113089930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).