6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]

C14H20N2O — CID 115099270

IUPAC6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
SMILESCOc1cccc2c1N(C)CC1(CCC1)CN2
InChIInChI=1S/C14H20N2O/c1-16-10-14(7-4-8-14)9-15-11-5-3-6-12(17-2)13(11)16/h3,5-6,15H,4,7-10H2,1-2H3
InChIKeyIPZAXFOIFHCYNG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds1

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

6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] (PubChem CID 115099270) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane].

Molecular Properties

Compound Name6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
PubChem CID115099270
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
SMILESCOc1cccc2c1N(C)CC1(CCC1)CN2
InChIInChI=1S/C14H20N2O/c1-16-10-14(7-4-8-14)9-15-11-5-3-6-12(17-2)13(11)16/h3,5-6,15H,4,7-10H2,1-2H3
InChIKeyIPZAXFOIFHCYNG-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] with MolForge

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Related Compounds

5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84620310
6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84620698
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620814
5-methoxy-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623748

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]?
The IUPAC name of 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] (CID 115099270) is 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane].
What is the SMILES notation for 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]?
The canonical SMILES for 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] is COc1cccc2c1N(C)CC1(CCC1)CN2.
What is the InChIKey of 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]?
The InChIKey is IPZAXFOIFHCYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-10-14(7-4-8-14)9-15-11-5-3-6-12(17-2)13(11)16/h3,5-6,15H,4,7-10H2,1-2H3.
What are the key properties of 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]?
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] has a molecular weight of 232.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane] is sourced from PubChem (CID 115099270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).