6-methyl-11H-pyrrolo[1,2-b][2]benzazepine

C14H13N — CID 14612759

IUPAC6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
SMILESCC1=Cc2ccccc2Cn2cccc21
InChIInChI=1S/C14H13N/c1-11-9-12-5-2-3-6-13(12)10-15-8-4-7-14(11)15/h2-9H,10H2,1H3
InChIKeyGGKZIVHHFXTANB-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.41
Rot. Bonds

About 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine

6-methyl-11H-pyrrolo[1,2-b][2]benzazepine (PubChem CID 14612759) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine.

Molecular Properties

Compound Name6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
PubChem CID14612759
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
SMILESCC1=Cc2ccccc2Cn2cccc21
InChIInChI=1S/C14H13N/c1-11-9-12-5-2-3-6-13(12)10-15-8-4-7-14(11)15/h2-9H,10H2,1H3
InChIKeyGGKZIVHHFXTANB-UHFFFAOYSA-N
XLogP3.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-9H-benzo[7]annulene
CID 142104722
3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
4-chloro-2-methyl-1,3-dihydro-2-benzazepine
CID 101083787
ethane;2-methyl-1H-indene
CID 54388135
2-methyl-1,3-dihydro-2-benzazepine
CID 10898976
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
3H-pyrrolizine-1,2-diol
CID 67341931
(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine
CID 139337778
2,3-dimethyl-1,2-dihydronaphthalene
CID 121008714
(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
CID 139445224
ethyl 2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7,9,13,15-heptaene-4-carboxylate
CID 13451684

Frequently Asked Questions

What is the IUPAC name of 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine?
The IUPAC name of 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine (CID 14612759) is 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine.
What is the SMILES notation for 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine?
The canonical SMILES for 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine is CC1=Cc2ccccc2Cn2cccc21.
What is the InChIKey of 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine?
The InChIKey is GGKZIVHHFXTANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-11-9-12-5-2-3-6-13(12)10-15-8-4-7-14(11)15/h2-9H,10H2,1H3.
What are the key properties of 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine?
6-methyl-11H-pyrrolo[1,2-b][2]benzazepine has a molecular weight of 195.26 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-11H-pyrrolo[1,2-b][2]benzazepine is sourced from PubChem (CID 14612759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).