7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one

C16H17NO2 — CID 54679056

IUPAC7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one
SMILESCCc1c(O)cc2n(c1=O)-c1ccccc1C2(C)C
InChIInChI=1S/C16H17NO2/c1-4-10-13(18)9-14-16(2,3)11-7-5-6-8-12(11)17(14)15(10)19/h5-9,18H,4H2,1-3H3
InChIKeyLJVHXMQCEYZFDU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds1

About 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one

7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one (PubChem CID 54679056) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one
PubChem CID54679056
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one
SMILESCCc1c(O)cc2n(c1=O)-c1ccccc1C2(C)C
InChIInChI=1S/C16H17NO2/c1-4-10-13(18)9-14-16(2,3)11-7-5-6-8-12(11)17(14)15(10)19/h5-9,18H,4H2,1-3H3
InChIKeyLJVHXMQCEYZFDU-UHFFFAOYSA-N
XLogP2.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one?
The IUPAC name of 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one (CID 54679056) is 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one.
What is the SMILES notation for 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one?
The canonical SMILES for 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one is CCc1c(O)cc2n(c1=O)-c1ccccc1C2(C)C.
What is the InChIKey of 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one?
The InChIKey is LJVHXMQCEYZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-10-13(18)9-14-16(2,3)11-7-5-6-8-12(11)17(14)15(10)19/h5-9,18H,4H2,1-3H3.
What are the key properties of 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one?
7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6-one is sourced from PubChem (CID 54679056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).