2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one

C17H24N2O — CID 71202948

IUPAC2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCc2cc3c(cc21)CCNCC3
InChIInChI=1S/C17H24N2O/c1-12(2)17(20)19-9-3-4-15-10-13-5-7-18-8-6-14(13)11-16(15)19/h10-12,18H,3-9H2,1-2H3
InChIKeyHFENIBDYYXPROU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.31
Rot. Bonds1

About 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one

2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one (PubChem CID 71202948) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one
PubChem CID71202948
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCc2cc3c(cc21)CCNCC3
InChIInChI=1S/C17H24N2O/c1-12(2)17(20)19-9-3-4-15-10-13-5-7-18-8-6-14(13)11-16(15)19/h10-12,18H,3-9H2,1-2H3
InChIKeyHFENIBDYYXPROU-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one with MolForge

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Related Compounds

1-(11-chloro-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)-2-methylpropan-1-one
CID 71202932
but-2-enedioic acid;N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine-1-carboxamide
CID 66982144
2-methyl-1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260239
2-methyl-1-[6-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260294
1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 54594044
2-bromo-2-methyl-1-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
CID 82258965
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 82341205
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116674604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one (CID 71202948) is 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one is CC(C)C(=O)N1CCCc2cc3c(cc21)CCNCC3.
What is the InChIKey of 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one?
The InChIKey is HFENIBDYYXPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)17(20)19-9-3-4-15-10-13-5-7-18-8-6-14(13)11-16(15)19/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one?
2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)propan-1-one is sourced from PubChem (CID 71202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).