4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine

C11H13N3 — CID 66996708

IUPAC4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine
SMILESNC1=NC2NC3C=CC=CC3C2C=C1
InChIInChI=1S/C11H13N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-9,11,13H,(H2,12,14)
InChIKeyVKOBDJBXLPIKML-UHFFFAOYSA-N
MW187.25 g/mol
LogP0.57
Rot. Bonds

About 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine

4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine (PubChem CID 66996708) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine
PubChem CID66996708
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine
SMILESNC1=NC2NC3C=CC=CC3C2C=C1
InChIInChI=1S/C11H13N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-9,11,13H,(H2,12,14)
InChIKeyVKOBDJBXLPIKML-UHFFFAOYSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine (CID 66996708) is 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine is NC1=NC2NC3C=CC=CC3C2C=C1.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine?
The InChIKey is VKOBDJBXLPIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-9,11,13H,(H2,12,14).
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine?
4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine has a molecular weight of 187.25 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 66996708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).