9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one

C13H14N2O — CID 15415682

IUPAC9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one
SMILESCCn1c2c(c3cccnc31)C(=O)CCC2
InChIInChI=1S/C13H14N2O/c1-2-15-10-6-3-7-11(16)12(10)9-5-4-8-14-13(9)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNCXKVBQFUOCSKD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.58
Rot. Bonds1

About 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one

9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one (PubChem CID 15415682) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one.

Molecular Properties

Compound Name9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one
PubChem CID15415682
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one
SMILESCCn1c2c(c3cccnc31)C(=O)CCC2
InChIInChI=1S/C13H14N2O/c1-2-15-10-6-3-7-11(16)12(10)9-5-4-8-14-13(9)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNCXKVBQFUOCSKD-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4595
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CID 68647
Cilansetron
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Zofran
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Variolin B
CID 9817550
(R)-Ondansetron
CID 667538
Ondansetron, (3S)-
CID 698135
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
5-HT3 antagonist 3
CID 65939
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
2-(4-Methylphenyl)imidazo(1,2-a)pyridine-3-carbaldehyde
CID 1096449

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one?
The IUPAC name of 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one (CID 15415682) is 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one.
What is the SMILES notation for 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one?
The canonical SMILES for 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one is CCn1c2c(c3cccnc31)C(=O)CCC2.
What is the InChIKey of 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one?
The InChIKey is NCXKVBQFUOCSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-15-10-6-3-7-11(16)12(10)9-5-4-8-14-13(9)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one?
9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one has a molecular weight of 214.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7,8-dihydro-6H-pyrido[2,3-b]indol-5-one is sourced from PubChem (CID 15415682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).