1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine

C11H12N2 — CID 66933239

IUPAC1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
SMILESNC1CCC2N=c3ccccc3=C12
InChIInChI=1S/C11H12N2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4,8,10H,5-6,12H2
InChIKeyQMJGQJINYQEOMX-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.04
Rot. Bonds

About 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine

1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine (PubChem CID 66933239) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine.

Molecular Properties

Compound Name1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
PubChem CID66933239
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
SMILESNC1CCC2N=c3ccccc3=C12
InChIInChI=1S/C11H12N2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4,8,10H,5-6,12H2
InChIKeyQMJGQJINYQEOMX-UHFFFAOYSA-N
XLogP-0.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine (CID 66933239) is 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine.
What is the SMILES notation for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The canonical SMILES for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine is NC1CCC2N=c3ccccc3=C12.
What is the InChIKey of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The InChIKey is QMJGQJINYQEOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4,8,10H,5-6,12H2.
What are the key properties of 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine has a molecular weight of 172.23 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine is sourced from PubChem (CID 66933239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).