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

C10H12N2O2 — CID 23157046

IUPAC7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one
SMILESO=C1NC(CO)CCc2cccnc21
InChIInChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)10(14)12-8/h1-2,5,8,13H,3-4,6H2,(H,12,14)
InChIKeyIZLALPGBSANNGS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.12
Rot. Bonds1

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

7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one (PubChem CID 23157046) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one
PubChem CID23157046
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one
SMILESO=C1NC(CO)CCc2cccnc21
InChIInChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)10(14)12-8/h1-2,5,8,13H,3-4,6H2,(H,12,14)
InChIKeyIZLALPGBSANNGS-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 23157087
9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid
CID 23157091
(8-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 83880243
[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 105488978
5,6,7,8-tetrahydroquinolin-6-ylmethanol
CID 69108967
2-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 144833580
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 19067074
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
CID 102774114
(5,6,7,8-tetrahydroquinolin-7-ylamino)methanol
CID 14835920
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one?
The IUPAC name of 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one (CID 23157046) is 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one.
What is the SMILES notation for 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one?
The canonical SMILES for 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one is O=C1NC(CO)CCc2cccnc21.
What is the InChIKey of 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one?
The InChIKey is IZLALPGBSANNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-6-8-4-3-7-2-1-5-11-9(7)10(14)12-8/h1-2,5,8,13H,3-4,6H2,(H,12,14).
What are the key properties of 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one?
7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one has a molecular weight of 192.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one is sourced from PubChem (CID 23157046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).