ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole

C11H17N — CID 143140807

IUPACethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole
SMILESC1=Cc2cc[nH]c2CCC1.CC
InChIInChI=1S/C9H11N.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h2,4,6-7,10H,1,3,5H2;1-2H3
InChIKeyAECFOELQKWBRKK-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.39
Rot. Bonds

About ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole

ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole (PubChem CID 143140807) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Nameethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole
PubChem CID143140807
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole
SMILESC1=Cc2cc[nH]c2CCC1.CC
InChIInChI=1S/C9H11N.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h2,4,6-7,10H,1,3,5H2;1-2H3
InChIKeyAECFOELQKWBRKK-UHFFFAOYSA-N
XLogP3.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole 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

ethane;5-methyl-6,7-dihydro-1H-indole
CID 143140793
bicyclo[5.1.0]octa-1(7),2-diene
CID 123578884
1,7-dihydropyrano[3,4-b]pyrrole
CID 57036519
8,9-dihydro-7H-benzo[7]annulen-1-olate
CID 20718206
1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 142467465
ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine
CID 143644650
7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
CID 143582940
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole
CID 123416584
1-methyl-6,7-dihydro-5H-cyclohepta[f]indol-2-ol
CID 172715661
5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346

Frequently Asked Questions

What is the IUPAC name of ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole?
The IUPAC name of ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole (CID 143140807) is ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole.
What is the SMILES notation for ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole?
The canonical SMILES for ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole is C1=Cc2cc[nH]c2CCC1.CC.
What is the InChIKey of ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole?
The InChIKey is AECFOELQKWBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h2,4,6-7,10H,1,3,5H2;1-2H3.
What are the key properties of ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole?
ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole is sourced from PubChem (CID 143140807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).