4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

C15H17NO — CID 158802884

IUPAC4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESCC(C)c1cccc2cc3n(c12)CCCC3=O
InChIInChI=1S/C15H17NO/c1-10(2)12-6-3-5-11-9-13-14(17)7-4-8-16(13)15(11)12/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyAAPNKOUMLILTKR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.74
Rot. Bonds1

About 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (PubChem CID 158802884) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.

Molecular Properties

Compound Name4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
PubChem CID158802884
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESCC(C)c1cccc2cc3n(c12)CCCC3=O
InChIInChI=1S/C15H17NO/c1-10(2)12-6-3-5-11-9-13-14(17)7-4-8-16(13)15(11)12/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyAAPNKOUMLILTKR-UHFFFAOYSA-N
XLogP3.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653
1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 10559092
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
CID 145363438
CID 145363438
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
2-amino-2-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)acetonitrile
CID 121210378
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
CID 117275521
3-(2-aminobutyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;hydrochloride
CID 170889347
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
2-(4,5-dimethylfuran-2-yl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 58890844
7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080426

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The IUPAC name of 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (CID 158802884) is 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.
What is the SMILES notation for 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The canonical SMILES for 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is CC(C)c1cccc2cc3n(c12)CCCC3=O.
What is the InChIKey of 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The InChIKey is AAPNKOUMLILTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(2)12-6-3-5-11-9-13-14(17)7-4-8-16(13)15(11)12/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one has a molecular weight of 227.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is sourced from PubChem (CID 158802884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).