1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine

C16H14N2 — CID 135062929

IUPAC1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
SMILESC(=C/c1ccccc1)\Cn1ccc2cccnc21
InChIInChI=1S/C16H14N2/c1-2-6-14(7-3-1)8-5-12-18-13-10-15-9-4-11-17-16(15)18/h1-11,13H,12H2/b8-5+
InChIKeyFEOXZRHBZJZIAN-VMPITWQZSA-N
MW234.30 g/mol
LogP3.75
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine

1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine (PubChem CID 135062929) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
PubChem CID135062929
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
SMILESC(=C/c1ccccc1)\Cn1ccc2cccnc21
InChIInChI=1S/C16H14N2/c1-2-6-14(7-3-1)8-5-12-18-13-10-15-9-4-11-17-16(15)18/h1-11,13H,12H2/b8-5+
InChIKeyFEOXZRHBZJZIAN-VMPITWQZSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 77133242
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664
1-pent-4-enylpyrrolo[2,3-b]pyridine
CID 175838520
[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol
CID 102912656
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid
CID 25324840
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069
N-methyl-1-pyrrolo[2,3-b]pyridin-1-ylpropan-2-amine
CID 117223827
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine (CID 135062929) is 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine is C(=C/c1ccccc1)\Cn1ccc2cccnc21.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine?
The InChIKey is FEOXZRHBZJZIAN-VMPITWQZSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-14(7-3-1)8-5-12-18-13-10-15-9-4-11-17-16(15)18/h1-11,13H,12H2/b8-5+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine?
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine has a molecular weight of 234.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135062929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).