(4bS)-4bH-pyrido[2,3-b]indol-2-amine

C11H9N3 — CID 27866681

IUPAC(4bS)-4bH-pyrido[2,3-b]indol-2-amine
SMILESNc1ccc2c(n1)N=C1C=CC=C[C@H]12
InChIInChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-7H,(H2,12,14)/t7-/m0/s1
InChIKeyPDOGMEOTHUKLHD-ZETCQYMHSA-N
MW183.21 g/mol
LogP1.96
Rot. Bonds

About (4bS)-4bH-pyrido[2,3-b]indol-2-amine

(4bS)-4bH-pyrido[2,3-b]indol-2-amine (PubChem CID 27866681) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4bS)-4bH-pyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound Name(4bS)-4bH-pyrido[2,3-b]indol-2-amine
PubChem CID27866681
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name(4bS)-4bH-pyrido[2,3-b]indol-2-amine
SMILESNc1ccc2c(n1)N=C1C=CC=C[C@H]12
InChIInChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-7H,(H2,12,14)/t7-/m0/s1
InChIKeyPDOGMEOTHUKLHD-ZETCQYMHSA-N
XLogP1.96
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4bS)-4bH-pyrido[2,3-b]indol-2-amine?
The IUPAC name of (4bS)-4bH-pyrido[2,3-b]indol-2-amine (CID 27866681) is (4bS)-4bH-pyrido[2,3-b]indol-2-amine.
What is the SMILES notation for (4bS)-4bH-pyrido[2,3-b]indol-2-amine?
The canonical SMILES for (4bS)-4bH-pyrido[2,3-b]indol-2-amine is Nc1ccc2c(n1)N=C1C=CC=C[C@H]12.
What is the InChIKey of (4bS)-4bH-pyrido[2,3-b]indol-2-amine?
The InChIKey is PDOGMEOTHUKLHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-7H,(H2,12,14)/t7-/m0/s1.
What are the key properties of (4bS)-4bH-pyrido[2,3-b]indol-2-amine?
(4bS)-4bH-pyrido[2,3-b]indol-2-amine has a molecular weight of 183.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS)-4bH-pyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 27866681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).