(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine

C10H13N3 — CID 89270688

IUPAC(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine
SMILESN/C=C/CC1=CNC2NC=CC=C12
InChIInChI=1S/C10H13N3/c11-5-1-3-8-7-13-10-9(8)4-2-6-12-10/h1-2,4-7,10,12-13H,3,11H2/b5-1+
InChIKeyHRGRRJJKQOBPHC-ORCRQEGFSA-N
MW175.24 g/mol
LogP0.71
Rot. Bonds2

About (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine

(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine (PubChem CID 89270688) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine
PubChem CID89270688
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine
SMILESN/C=C/CC1=CNC2NC=CC=C12
InChIInChI=1S/C10H13N3/c11-5-1-3-8-7-13-10-9(8)4-2-6-12-10/h1-2,4-7,10,12-13H,3,11H2/b5-1+
InChIKeyHRGRRJJKQOBPHC-ORCRQEGFSA-N
XLogP0.71
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine?
The IUPAC name of (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine (CID 89270688) is (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine is N/C=C/CC1=CNC2NC=CC=C12.
What is the InChIKey of (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine?
The InChIKey is HRGRRJJKQOBPHC-ORCRQEGFSA-N. The full InChI is InChI=1S/C10H13N3/c11-5-1-3-8-7-13-10-9(8)4-2-6-12-10/h1-2,4-7,10,12-13H,3,11H2/b5-1+.
What are the key properties of (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine?
(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine has a molecular weight of 175.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 89270688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).