2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine

C10H11N3 — CID 167028664

IUPAC2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESC=Cc1[nH]c2ncccc2c1NC
InChIInChI=1S/C10H11N3/c1-3-8-9(11-2)7-5-4-6-12-10(7)13-8/h3-6,11H,1H2,2H3,(H,12,13)
InChIKeyPPHDPHWAJGYTCW-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.25
Rot. Bonds2

About 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine

2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 167028664) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID167028664
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESC=Cc1[nH]c2ncccc2c1NC
InChIInChI=1S/C10H11N3/c1-3-8-9(11-2)7-5-4-6-12-10(7)13-8/h3-6,11H,1H2,2H3,(H,12,13)
InChIKeyPPHDPHWAJGYTCW-UHFFFAOYSA-N
XLogP2.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 167028664) is 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine is C=Cc1[nH]c2ncccc2c1NC.
What is the InChIKey of 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is PPHDPHWAJGYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-8-9(11-2)7-5-4-6-12-10(7)13-8/h3-6,11H,1H2,2H3,(H,12,13).
What are the key properties of 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 173.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 167028664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).