6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine

C9H12N2 — CID 153340915

IUPAC6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine
SMILESCC1C=CC2=C(N=C1)NCC2
InChIInChI=1S/C9H12N2/c1-7-2-3-8-4-5-10-9(8)11-6-7/h2-3,6-7,10H,4-5H2,1H3
InChIKeyUXAMJTDRJCQCQS-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.47
Rot. Bonds

About 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine

6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine (PubChem CID 153340915) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine
PubChem CID153340915
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine
SMILESCC1C=CC2=C(N=C1)NCC2
InChIInChI=1S/C9H12N2/c1-7-2-3-8-4-5-10-9(8)11-6-7/h2-3,6-7,10H,4-5H2,1H3
InChIKeyUXAMJTDRJCQCQS-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
CID 138747410
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-5,6-dihydro-1H-pyrimidine
CID 141985331
CID 153340914
CID 153340914
6-methyl-6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]azepine
CID 166848138
N-[4-[(Z)-but-2-en-2-yl]-2,3-dihydro-1H-pyrrol-5-yl]ethanimine
CID 173823823
N-[6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine
CID 173907070

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine?
The IUPAC name of 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine (CID 153340915) is 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine.
What is the SMILES notation for 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine?
The canonical SMILES for 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine is CC1C=CC2=C(N=C1)NCC2.
What is the InChIKey of 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine?
The InChIKey is UXAMJTDRJCQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-2-3-8-4-5-10-9(8)11-6-7/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine?
6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine has a molecular weight of 148.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine is sourced from PubChem (CID 153340915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).