2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C18H15N3O — CID 67114650

IUPAC2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESC/C=C(\C)c1c(C#N)c2cccnc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H15N3O/c1-3-12(2)17-16(11-19)15-5-4-10-20-18(15)21(17)13-6-8-14(22)9-7-13/h3-10,22H,1-2H3/b12-3+
InChIKeyHTGLNIANGWNOKS-KGVSQERTSA-N
MW289.34 g/mol
LogP4.03
Rot. Bonds2

About 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 67114650) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID67114650
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESC/C=C(\C)c1c(C#N)c2cccnc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H15N3O/c1-3-12(2)17-16(11-19)15-5-4-10-20-18(15)21(17)13-6-8-14(22)9-7-13/h3-10,22H,1-2H3/b12-3+
InChIKeyHTGLNIANGWNOKS-KGVSQERTSA-N
XLogP4.03
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 15005396
1-(4-hydroxyphenyl)-3-(2-pyridin-3-ylprop-1-enyl)-1,8-naphthyridin-2-one
CID 57147031
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
2-bromo-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(dimethylamino)-1-(4-hydroxyphenyl)indole-3-carbonitrile
CID 159785226
5-[(Z)-but-2-en-2-yl]-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 67120037
2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523708
3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile
CID 54408222
9-phenylpyrido[2,3-b]indole
CID 15939260
4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164759
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 67114650) is 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is C/C=C(\C)c1c(C#N)c2cccnc2n1-c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is HTGLNIANGWNOKS-KGVSQERTSA-N. The full InChI is InChI=1S/C18H15N3O/c1-3-12(2)17-16(11-19)15-5-4-10-20-18(15)21(17)13-6-8-14(22)9-7-13/h3-10,22H,1-2H3/b12-3+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 67114650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).