5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

C13H17FN2 — CID 103594537

IUPAC5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCc1cc2c(cc1F)NCCCN2C1CC1
InChIInChI=1S/C13H17FN2/c1-9-7-13-12(8-11(9)14)15-5-2-6-16(13)10-3-4-10/h7-8,10,15H,2-6H2,1H3
InChIKeyYJVPFDMFUPSNEA-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.92
Rot. Bonds1

About 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 103594537) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID103594537
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCc1cc2c(cc1F)NCCCN2C1CC1
InChIInChI=1S/C13H17FN2/c1-9-7-13-12(8-11(9)14)15-5-2-6-16(13)10-3-4-10/h7-8,10,15H,2-6H2,1H3
InChIKeyYJVPFDMFUPSNEA-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine with MolForge

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Related Compounds

1-cyclopropyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115502363
6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
CID 103594535
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole
CID 162380916
7-bromo-8-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83825733
3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 103594512
5-(oxan-4-yl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851045
4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
CID 103594586
1-(2,5-difluoro-4-methylphenyl)-4-methyl-1,5-diazocane
CID 103587201
(3aS)-7-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 82404880
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
1-cyclopropyl-6-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 82008003

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 103594537) is 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is Cc1cc2c(cc1F)NCCCN2C1CC1.
What is the InChIKey of 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is YJVPFDMFUPSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9-7-13-12(8-11(9)14)15-5-2-6-16(13)10-3-4-10/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 220.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 103594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).