7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

C10H12N2O2 — CID 23157087

IUPAC7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESO=C1Nc2ncccc2CCC1CO
InChIInChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)12-10(8)14/h1-2,5,8,13H,3-4,6H2,(H,11,12,14)
InChIKeyZRDQAWAAMKCUFI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.57
Rot. Bonds1

About 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (PubChem CID 23157087) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
PubChem CID23157087
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESO=C1Nc2ncccc2CCC1CO
InChIInChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)12-10(8)14/h1-2,5,8,13H,3-4,6H2,(H,11,12,14)
InChIKeyZRDQAWAAMKCUFI-UHFFFAOYSA-N
XLogP0.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 9930471
(7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 10069974
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
2-(Pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 350697
(7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 22594351
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
3-Hydroxy-3,3-diphenyl-n-(pyridin-2-yl)propanamide
CID 271263
3-cyclohexyl-N-(4-methylpyridin-2-yl)propanamide
CID 887275
(7-{[4-(Methyl-pyridin-2-yl-amino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 44340569
3-Hydroxy-3-phenyl-n-(pyridin-2-yl)propanamide
CID 268039
Ethyl 2-cyclohexyl-2-[(pyridin-2-YL)carbamoyl]acetate
CID 2899706
2-hydroxy-2-phenyl-N-(pyridin-2-yl)acetamide
CID 14137

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The IUPAC name of 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (CID 23157087) is 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.
What is the SMILES notation for 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The canonical SMILES for 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is O=C1Nc2ncccc2CCC1CO.
What is the InChIKey of 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The InChIKey is ZRDQAWAAMKCUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)12-10(8)14/h1-2,5,8,13H,3-4,6H2,(H,11,12,14).
What are the key properties of 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one has a molecular weight of 192.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is sourced from PubChem (CID 23157087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).