6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one

C10H14N2O2 — CID 134458887

IUPAC6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one
SMILESCN1c2ccc(=O)[nH]c2CCCC1O
InChIInChI=1S/C10H14N2O2/c1-12-8-5-6-9(13)11-7(8)3-2-4-10(12)14/h5-6,10,14H,2-4H2,1H3,(H,11,13)
InChIKeyMACVPFVVZLNFJN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.47
Rot. Bonds

About 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one

6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one (PubChem CID 134458887) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one
PubChem CID134458887
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one
SMILESCN1c2ccc(=O)[nH]c2CCCC1O
InChIInChI=1S/C10H14N2O2/c1-12-8-5-6-9(13)11-7(8)3-2-4-10(12)14/h5-6,10,14H,2-4H2,1H3,(H,11,13)
InChIKeyMACVPFVVZLNFJN-UHFFFAOYSA-N
XLogP0.47
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one?
The IUPAC name of 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one (CID 134458887) is 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one.
What is the SMILES notation for 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one?
The canonical SMILES for 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one is CN1c2ccc(=O)[nH]c2CCCC1O.
What is the InChIKey of 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one?
The InChIKey is MACVPFVVZLNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-8-5-6-9(13)11-7(8)3-2-4-10(12)14/h5-6,10,14H,2-4H2,1H3,(H,11,13).
What are the key properties of 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one?
6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-b]azepin-2-one is sourced from PubChem (CID 134458887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).