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

C11H12N2 — CID 66933229

IUPAC(1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
SMILESN[C@H]1CCC2N=c3ccccc3=C21
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/t8-,10?/m0/s1
InChIKeyQMJGQJINYQEOMX-PEHGTWAWSA-N
MW172.23 g/mol
LogP-0.04
Rot. Bonds

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

(1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine (PubChem CID 66933229) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine.

Molecular Properties

Compound Name(1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
PubChem CID66933229
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine
SMILESN[C@H]1CCC2N=c3ccccc3=C21
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/t8-,10?/m0/s1
InChIKeyQMJGQJINYQEOMX-PEHGTWAWSA-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 (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The IUPAC name of (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine (CID 66933229) is (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine.
What is the SMILES notation for (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The canonical SMILES for (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine is N[C@H]1CCC2N=c3ccccc3=C21.
What is the InChIKey of (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
The InChIKey is QMJGQJINYQEOMX-PEHGTWAWSA-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/t8-,10?/m0/s1.
What are the key properties of (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine?
(1S)-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 (1S)-1,2,3,3a-tetrahydrocyclopenta[b]indol-1-amine is sourced from PubChem (CID 66933229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).