6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

C11H15NO2 — CID 102126800

IUPAC6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESO=c1cccc2n1C(CO)CCCC2
InChIInChI=1S/C11H15NO2/c13-8-10-5-2-1-4-9-6-3-7-11(14)12(9)10/h3,6-7,10,13H,1-2,4-5,8H2
InChIKeyCHNUINMCHHTGFM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.11
Rot. Bonds1

About 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (PubChem CID 102126800) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
PubChem CID102126800
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESO=c1cccc2n1C(CO)CCCC2
InChIInChI=1S/C11H15NO2/c13-8-10-5-2-1-4-9-6-3-7-11(14)12(9)10/h3,6-7,10,13H,1-2,4-5,8H2
InChIKeyCHNUINMCHHTGFM-UHFFFAOYSA-N
XLogP1.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 102126799
1-[2-(Hydroxymethyl)azepan-1-yl]hexa-2,4-dien-1-one
CID 104891624
5-Amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one
CID 116634175
4-[2-(Hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one
CID 116635947
1-[2-[2-(Hydroxymethyl)azepan-1-yl]ethyl]pyridin-2-one
CID 116637566
(6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492339
(6S)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492340

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The IUPAC name of 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (CID 102126800) is 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is O=c1cccc2n1C(CO)CCCC2.
What is the InChIKey of 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The InChIKey is CHNUINMCHHTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-8-10-5-2-1-4-9-6-3-7-11(14)12(9)10/h3,6-7,10,13H,1-2,4-5,8H2.
What are the key properties of 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is sourced from PubChem (CID 102126800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).