7-methyl-7H-pyrrolo[1,2-a]azepine

C10H11N — CID 171812498

IUPAC7-methyl-7H-pyrrolo[1,2-a]azepine
SMILESCC1C=Cc2cccn2C=C1
InChIInChI=1S/C10H11N/c1-9-4-5-10-3-2-7-11(10)8-6-9/h2-9H,1H3
InChIKeyRVTFSKALDNUQBD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds

About 7-methyl-7H-pyrrolo[1,2-a]azepine

7-methyl-7H-pyrrolo[1,2-a]azepine (PubChem CID 171812498) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 7-methyl-7H-pyrrolo[1,2-a]azepine.

Molecular Properties

Compound Name7-methyl-7H-pyrrolo[1,2-a]azepine
PubChem CID171812498
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name7-methyl-7H-pyrrolo[1,2-a]azepine
SMILESCC1C=Cc2cccn2C=C1
InChIInChI=1S/C10H11N/c1-9-4-5-10-3-2-7-11(10)8-6-9/h2-9H,1H3
InChIKeyRVTFSKALDNUQBD-UHFFFAOYSA-N
XLogP2.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7H-pyrrolo[1,2-a]azepine?
The IUPAC name of 7-methyl-7H-pyrrolo[1,2-a]azepine (CID 171812498) is 7-methyl-7H-pyrrolo[1,2-a]azepine.
What is the SMILES notation for 7-methyl-7H-pyrrolo[1,2-a]azepine?
The canonical SMILES for 7-methyl-7H-pyrrolo[1,2-a]azepine is CC1C=Cc2cccn2C=C1.
What is the InChIKey of 7-methyl-7H-pyrrolo[1,2-a]azepine?
The InChIKey is RVTFSKALDNUQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-9-4-5-10-3-2-7-11(10)8-6-9/h2-9H,1H3.
What are the key properties of 7-methyl-7H-pyrrolo[1,2-a]azepine?
7-methyl-7H-pyrrolo[1,2-a]azepine has a molecular weight of 145.20 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7H-pyrrolo[1,2-a]azepine is sourced from PubChem (CID 171812498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).