8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine

C8H13N3 — CID 146207795

IUPAC8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine
SMILESCC1CNC2=C1N=CCNC2
InChIInChI=1S/C8H13N3/c1-6-4-11-7-5-9-2-3-10-8(6)7/h3,6,9,11H,2,4-5H2,1H3
InChIKeyQVIXUOLPCZYCIA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.11
Rot. Bonds

About 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine

8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine (PubChem CID 146207795) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine.

Molecular Properties

Compound Name8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine
PubChem CID146207795
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine
SMILESCC1CNC2=C1N=CCNC2
InChIInChI=1S/C8H13N3/c1-6-4-11-7-5-9-2-3-10-8(6)7/h3,6,9,11H,2,4-5H2,1H3
InChIKeyQVIXUOLPCZYCIA-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
CID 142458893
7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 89263292
(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86311748
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
CID 166476928
1,2,3,6-tetrahydropyrazin-3-ol
CID 91127667
(7S)-7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine
CID 125451348
5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 171776789
3-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 70331266
4-methylpyrrolidin-3-one;hydrochloride
CID 105427865
5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 142451048
5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 67539172
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine?
The IUPAC name of 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine (CID 146207795) is 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine.
What is the SMILES notation for 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine?
The canonical SMILES for 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine is CC1CNC2=C1N=CCNC2.
What is the InChIKey of 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine?
The InChIKey is QVIXUOLPCZYCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-4-11-7-5-9-2-3-10-8(6)7/h3,6,9,11H,2,4-5H2,1H3.
What are the key properties of 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine?
8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine has a molecular weight of 151.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine is sourced from PubChem (CID 146207795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).