6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine

C9H14N2 — CID 143582940

IUPAC6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
SMILESCN1CCc2cc[nH]c2CC1
InChIInChI=1S/C9H14N2/c1-11-6-3-8-2-5-10-9(8)4-7-11/h2,5,10H,3-4,6-7H2,1H3
InChIKeyCMFHDVULUQUOAT-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.05
Rot. Bonds

About 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine

6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine (PubChem CID 143582940) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine.

Molecular Properties

Compound Name6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
PubChem CID143582940
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
SMILESCN1CCc2cc[nH]c2CC1
InChIInChI=1S/C9H14N2/c1-11-6-3-8-2-5-10-9(8)4-7-11/h2,5,10H,3-4,6-7H2,1H3
InChIKeyCMFHDVULUQUOAT-UHFFFAOYSA-N
XLogP1.05
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346
2-bromo-6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
CID 84792524
3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535595
11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
CID 45379370
1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine
CID 58443090
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
CID 12566036
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
4,6,7,8-tetrahydro-1H-thiepino[4,3-b]pyrrole
CID 90244269
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
1-methylpyrrolidine;1H-pyridin-2-one
CID 143796889
5-bromo-12-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
CID 162388621

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine?
The IUPAC name of 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine (CID 143582940) is 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine.
What is the SMILES notation for 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine?
The canonical SMILES for 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine is CN1CCc2cc[nH]c2CC1.
What is the InChIKey of 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine?
The InChIKey is CMFHDVULUQUOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-6-3-8-2-5-10-9(8)4-7-11/h2,5,10H,3-4,6-7H2,1H3.
What are the key properties of 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine?
6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine has a molecular weight of 150.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine is sourced from PubChem (CID 143582940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).