(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine

C13H17N3 — CID 22714596

IUPAC(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H17N3/c1-10(14-2)4-3-5-11-8-12-6-7-15-13(12)16-9-11/h3,5-10,14H,4H2,1-2H3,(H,15,16)/b5-3+
InChIKeyJQICMSAWCYVJAL-HWKANZROSA-N
MW215.30 g/mol
LogP2.57
Rot. Bonds4

About (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine

(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine (PubChem CID 22714596) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
PubChem CID22714596
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H17N3/c1-10(14-2)4-3-5-11-8-12-6-7-15-13(12)16-9-11/h3,5-10,14H,4H2,1-2H3,(H,15,16)/b5-3+
InChIKeyJQICMSAWCYVJAL-HWKANZROSA-N
XLogP2.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine?
The IUPAC name of (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine (CID 22714596) is (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine.
What is the SMILES notation for (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine?
The canonical SMILES for (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine is CNC(C)C/C=C/c1cnc2[nH]ccc2c1.
What is the InChIKey of (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine?
The InChIKey is JQICMSAWCYVJAL-HWKANZROSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14-2)4-3-5-11-8-12-6-7-15-13(12)16-9-11/h3,5-10,14H,4H2,1-2H3,(H,15,16)/b5-3+.
What are the key properties of (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine?
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 22714596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).