8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one

C11H13N3O — CID 115452149

IUPAC8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one
SMILESCc1cnc2c(c1)NC(=O)C1(CC1)CN2
InChIInChI=1S/C11H13N3O/c1-7-4-8-9(12-5-7)13-6-11(2-3-11)10(15)14-8/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZZJMYNJYFFIEHM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.53
Rot. Bonds

About 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one

8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one (PubChem CID 115452149) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one
PubChem CID115452149
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one
SMILESCc1cnc2c(c1)NC(=O)C1(CC1)CN2
InChIInChI=1S/C11H13N3O/c1-7-4-8-9(12-5-7)13-6-11(2-3-11)10(15)14-8/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZZJMYNJYFFIEHM-UHFFFAOYSA-N
XLogP1.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclobutane]-2-one
CID 115447279
8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,4'-oxane]-2-one
CID 113310330
7-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452146
8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 79306298
7,12-dimethyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 82765563
(4S)-4,8-dimethyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 97047881
9-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cycloheptane]-2-one
CID 115444966
(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
CID 166034699
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
7-hydroxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099014
5,7-diazaspiro[2.5]octane-6,8-dione
CID 115451832
7-chlorospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopentane]-2-one
CID 113316845

Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one?
The IUPAC name of 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one (CID 115452149) is 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one?
The canonical SMILES for 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one is Cc1cnc2c(c1)NC(=O)C1(CC1)CN2.
What is the InChIKey of 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one?
The InChIKey is ZZJMYNJYFFIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-8-9(12-5-7)13-6-11(2-3-11)10(15)14-8/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one?
8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 115452149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).