6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

C10H14N2O — CID 115015195

IUPAC6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESCOc1cccc2c1CNCCN2
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-3-9-8(10)7-11-5-6-12-9/h2-4,11-12H,5-7H2,1H3
InChIKeyFVHHHEBUENIDSS-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.21
Rot. Bonds1

About 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (PubChem CID 115015195) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
PubChem CID115015195
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESCOc1cccc2c1CNCCN2
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-3-9-8(10)7-11-5-6-12-9/h2-4,11-12H,5-7H2,1H3
InChIKeyFVHHHEBUENIDSS-UHFFFAOYSA-N
XLogP1.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 143661995
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 84716986
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
CID 66613515
9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83818191
3-ethylidene-4-methoxy-1,2-dihydroindole
CID 131845895
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698622

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The IUPAC name of 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (CID 115015195) is 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The canonical SMILES for 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is COc1cccc2c1CNCCN2.
What is the InChIKey of 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The InChIKey is FVHHHEBUENIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-10-4-2-3-9-8(10)7-11-5-6-12-9/h2-4,11-12H,5-7H2,1H3.
What are the key properties of 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine has a molecular weight of 178.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 115015195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).