3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one

C24H35NO — CID 161142847

IUPAC3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one
SMILESCC(CC(=O)N1CCC2=C(Cc3ccccc32)C1C(C)C)CC(C)(C)C
InChIInChI=1S/C24H35NO/c1-16(2)23-21-14-18-9-7-8-10-19(18)20(21)11-12-25(23)22(26)13-17(3)15-24(4,5)6/h7-10,16-17,23H,11-15H2,1-6H3
InChIKeyMVSGHBGWHHMPBN-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.72
Rot. Bonds4

About 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one

3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one (PubChem CID 161142847) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one
PubChem CID161142847
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one
SMILESCC(CC(=O)N1CCC2=C(Cc3ccccc32)C1C(C)C)CC(C)(C)C
InChIInChI=1S/C24H35NO/c1-16(2)23-21-14-18-9-7-8-10-19(18)20(21)11-12-25(23)22(26)13-17(3)15-24(4,5)6/h7-10,16-17,23H,11-15H2,1-6H3
InChIKeyMVSGHBGWHHMPBN-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
CID 158764252
(3S)-1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethylhexan-1-one
CID 92761406
tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate
CID 160667487
(3R)-1-[(1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethylhexan-1-one
CID 92762353
3-methylsulfonyl-1-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110628080
N-[3-oxo-3-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 110354331
tert-butyl N-[5-[1-(4-cyanophenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-5-oxopentyl]carbamate
CID 157242095
1-[6-methoxy-1-(phenylmethoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3,5,5-trimethylhexan-1-one
CID 46102988
1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one
CID 106893048
tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate
CID 158131134
(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 7249402
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one?
The IUPAC name of 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one (CID 161142847) is 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one.
What is the SMILES notation for 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one?
The canonical SMILES for 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one is CC(CC(=O)N1CCC2=C(Cc3ccccc32)C1C(C)C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one?
The InChIKey is MVSGHBGWHHMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-16(2)23-21-14-18-9-7-8-10-19(18)20(21)11-12-25(23)22(26)13-17(3)15-24(4,5)6/h7-10,16-17,23H,11-15H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one?
3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one has a molecular weight of 353.55 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one is sourced from PubChem (CID 161142847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).