3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

C19H20N2O — CID 143178876

IUPAC3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCC/C=C(\CC)c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C19H20N2O/c1-3-6-13(4-2)18-12-21-19-17(18)10-15(11-20-19)14-7-5-8-16(22)9-14/h5-12,22H,3-4H2,1-2H3,(H,20,21)/b13-6+
InChIKeyDEWUGGMAQWJBKJ-AWNIVKPZSA-N
MW292.38 g/mol
LogP5.14
Rot. Bonds4

About 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 143178876) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID143178876
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCC/C=C(\CC)c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C19H20N2O/c1-3-6-13(4-2)18-12-21-19-17(18)10-15(11-20-19)14-7-5-8-16(22)9-14/h5-12,22H,3-4H2,1-2H3,(H,20,21)/b13-6+
InChIKeyDEWUGGMAQWJBKJ-AWNIVKPZSA-N
XLogP5.14
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 143178876) is 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is CC/C=C(\CC)c1c[nH]c2ncc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is DEWUGGMAQWJBKJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-6-13(4-2)18-12-21-19-17(18)10-15(11-20-19)14-7-5-8-16(22)9-14/h5-12,22H,3-4H2,1-2H3,(H,20,21)/b13-6+.
What are the key properties of 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 292.38 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 143178876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).