5-methyl-1,5-dihydropyrrolo[2,3-c]azepine

C9H10N2 — CID 89029100

IUPAC5-methyl-1,5-dihydropyrrolo[2,3-c]azepine
SMILESCC1C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C9H10N2/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7,11H,1H3
InChIKeyKXDVHHBNHBNSKM-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.25
Rot. Bonds

About 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine

5-methyl-1,5-dihydropyrrolo[2,3-c]azepine (PubChem CID 89029100) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine.

Molecular Properties

Compound Name5-methyl-1,5-dihydropyrrolo[2,3-c]azepine
PubChem CID89029100
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-1,5-dihydropyrrolo[2,3-c]azepine
SMILESCC1C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C9H10N2/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7,11H,1H3
InChIKeyKXDVHHBNHBNSKM-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine?
The IUPAC name of 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine (CID 89029100) is 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine.
What is the SMILES notation for 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine?
The canonical SMILES for 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine is CC1C=NC=c2[nH]ccc2=C1.
What is the InChIKey of 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine?
The InChIKey is KXDVHHBNHBNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7,11H,1H3.
What are the key properties of 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine?
5-methyl-1,5-dihydropyrrolo[2,3-c]azepine has a molecular weight of 146.19 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,5-dihydropyrrolo[2,3-c]azepine is sourced from PubChem (CID 89029100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).