7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]

C12H15BrN2 — CID 115098978

IUPAC7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESCN1CC2(CC2)CNc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2/c1-15-8-12(4-5-12)7-14-10-6-9(13)2-3-11(10)15/h2-3,6,14H,4-5,7-8H2,1H3
InChIKeyQCDZBZPPCOSVAX-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.09
Rot. Bonds

About 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]

7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] (PubChem CID 115098978) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
PubChem CID115098978
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESCN1CC2(CC2)CNc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2/c1-15-8-12(4-5-12)7-14-10-6-9(13)2-3-11(10)15/h2-3,6,14H,4-5,7-8H2,1H3
InChIKeyQCDZBZPPCOSVAX-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] with MolForge

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Related Compounds

7-bromo-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099440
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097468
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100009
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
8-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099424
1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclohexane]-6-ol
CID 115099795
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082
1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82380827

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]?
The IUPAC name of 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] (CID 115098978) is 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane].
What is the SMILES notation for 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]?
The canonical SMILES for 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] is CN1CC2(CC2)CNc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]?
The InChIKey is QCDZBZPPCOSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-15-8-12(4-5-12)7-14-10-6-9(13)2-3-11(10)15/h2-3,6,14H,4-5,7-8H2,1H3.
What are the key properties of 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]?
7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] has a molecular weight of 267.17 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).