6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one

C13H16N2O2 — CID 115099258

IUPAC6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
SMILESCN1CC2(CCC2)C(=O)Nc2cccc(O)c21
InChIInChI=1S/C13H16N2O2/c1-15-8-13(6-3-7-13)12(17)14-9-4-2-5-10(16)11(9)15/h2,4-5,16H,3,6-8H2,1H3,(H,14,17)
InChIKeyYNQALOSDRKSNFG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.95
Rot. Bonds

About 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one

6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one (PubChem CID 115099258) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
PubChem CID115099258
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
SMILESCN1CC2(CCC2)C(=O)Nc2cccc(O)c21
InChIInChI=1S/C13H16N2O2/c1-15-8-13(6-3-7-13)12(17)14-9-4-2-5-10(16)11(9)15/h2,4-5,16H,3,6-8H2,1H3,(H,14,17)
InChIKeyYNQALOSDRKSNFG-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-1-methylspiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-4-one
CID 115099559
5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095429
6-hydroxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
CID 115099256
7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
CID 115099669
1-methyl-4-oxospiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-carboxylic acid
CID 115099951
5-methyl-2-oxospiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100006
1-methyl-4-oxospiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-7-carboxylic acid
CID 115100184
7-chloro-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115099890
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one?
The IUPAC name of 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one (CID 115099258) is 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one?
The canonical SMILES for 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one is CN1CC2(CCC2)C(=O)Nc2cccc(O)c21.
What is the InChIKey of 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one?
The InChIKey is YNQALOSDRKSNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-8-13(6-3-7-13)12(17)14-9-4-2-5-10(16)11(9)15/h2,4-5,16H,3,6-8H2,1H3,(H,14,17).
What are the key properties of 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one?
6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).