7-methyl-1,7-dihydropyrrolo[3,2-b]azepine

C9H10N2 — CID 137252694

IUPAC7-methyl-1,7-dihydropyrrolo[3,2-b]azepine
SMILESCC1C=CN=c2cc[nH]c2=C1
InChIInChI=1S/C9H10N2/c1-7-2-4-10-8-3-5-11-9(8)6-7/h2-7,11H,1H3
InChIKeyFFUKERCGCVJGEF-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.58
Rot. Bonds

About 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine

7-methyl-1,7-dihydropyrrolo[3,2-b]azepine (PubChem CID 137252694) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine.

Molecular Properties

Compound Name7-methyl-1,7-dihydropyrrolo[3,2-b]azepine
PubChem CID137252694
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name7-methyl-1,7-dihydropyrrolo[3,2-b]azepine
SMILESCC1C=CN=c2cc[nH]c2=C1
InChIInChI=1S/C9H10N2/c1-7-2-4-10-8-3-5-11-9(8)6-7/h2-7,11H,1H3
InChIKeyFFUKERCGCVJGEF-UHFFFAOYSA-N
XLogP0.58
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine?
The IUPAC name of 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine (CID 137252694) is 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine.
What is the SMILES notation for 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine?
The canonical SMILES for 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine is CC1C=CN=c2cc[nH]c2=C1.
What is the InChIKey of 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine?
The InChIKey is FFUKERCGCVJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-2-4-10-8-3-5-11-9(8)6-7/h2-7,11H,1H3.
What are the key properties of 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine?
7-methyl-1,7-dihydropyrrolo[3,2-b]azepine has a molecular weight of 146.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-dihydropyrrolo[3,2-b]azepine is sourced from PubChem (CID 137252694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).