(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine

C15H12N2O — CID 59665585

IUPAC(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESc1ccc2c(c1)CO/C2=C1/CNc2cccnc21
InChIInChI=1S/C15H12N2O/c1-2-5-11-10(4-1)9-18-15(11)12-8-17-13-6-3-7-16-14(12)13/h1-7,17H,8-9H2/b15-12-
InChIKeyOAPVCGLONSNVKC-QINSGFPZSA-N
MW236.27 g/mol
LogP2.91
Rot. Bonds

About (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine

(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine (PubChem CID 59665585) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine
PubChem CID59665585
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESc1ccc2c(c1)CO/C2=C1/CNc2cccnc21
InChIInChI=1S/C15H12N2O/c1-2-5-11-10(4-1)9-18-15(11)12-8-17-13-6-3-7-16-14(12)13/h1-7,17H,8-9H2/b15-12-
InChIKeyOAPVCGLONSNVKC-QINSGFPZSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine (CID 59665585) is (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine is c1ccc2c(c1)CO/C2=C1/CNc2cccnc21.
What is the InChIKey of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is OAPVCGLONSNVKC-QINSGFPZSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-5-11-10(4-1)9-18-15(11)12-8-17-13-6-3-7-16-14(12)13/h1-7,17H,8-9H2/b15-12-.
What are the key properties of (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine?
(3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 236.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3H-2-benzofuran-1-ylidene)-1,2-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).