6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]

C12H15FN2 — CID 115099075

IUPAC6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESCN1CC2(CC2)CNc2cccc(F)c21
InChIInChI=1S/C12H15FN2/c1-15-8-12(5-6-12)7-14-10-4-2-3-9(13)11(10)15/h2-4,14H,5-8H2,1H3
InChIKeyVSPSTQOZCVRGBX-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.47
Rot. Bonds

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

6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane] (PubChem CID 115099075) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
PubChem CID115099075
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESCN1CC2(CC2)CNc2cccc(F)c21
InChIInChI=1S/C12H15FN2/c1-15-8-12(5-6-12)7-14-10-4-2-3-9(13)11(10)15/h2-4,14H,5-8H2,1H3
InChIKeyVSPSTQOZCVRGBX-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115098978
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
7-bromo-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099440
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097943
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclohexane]-6-ol
CID 115099795
8-fluoro-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84621075

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]?
The IUPAC name of 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane] (CID 115099075) is 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane].
What is the SMILES notation for 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]?
The canonical SMILES for 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane] is CN1CC2(CC2)CNc2cccc(F)c21.
What is the InChIKey of 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]?
The InChIKey is VSPSTQOZCVRGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-15-8-12(5-6-12)7-14-10-4-2-3-9(13)11(10)15/h2-4,14H,5-8H2,1H3.
What are the key properties of 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]?
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane] has a molecular weight of 206.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115099075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).