[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone

C18H16N2O — CID 139474935

IUPAC[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone
SMILESC/C=c1\c(=C/C)n(C(=O)c2ccccc2)c2cnccc12
InChIInChI=1S/C18H16N2O/c1-3-14-15-10-11-19-12-17(15)20(16(14)4-2)18(21)13-8-6-5-7-9-13/h3-12H,1-2H3/b14-3-,16-4+
InChIKeyFFQWJLQCBOWJPR-PXOGSJKCSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds1

About [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone

[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone (PubChem CID 139474935) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone
PubChem CID139474935
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone
SMILESC/C=c1\c(=C/C)n(C(=O)c2ccccc2)c2cnccc12
InChIInChI=1S/C18H16N2O/c1-3-14-15-10-11-19-12-17(15)20(16(14)4-2)18(21)13-8-6-5-7-9-13/h3-12H,1-2H3/b14-3-,16-4+
InChIKeyFFQWJLQCBOWJPR-PXOGSJKCSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone?
The IUPAC name of [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone (CID 139474935) is [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone?
The canonical SMILES for [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone is C/C=c1\c(=C/C)n(C(=O)c2ccccc2)c2cnccc12.
What is the InChIKey of [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone?
The InChIKey is FFQWJLQCBOWJPR-PXOGSJKCSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-14-15-10-11-19-12-17(15)20(16(14)4-2)18(21)13-8-6-5-7-9-13/h3-12H,1-2H3/b14-3-,16-4+.
What are the key properties of [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone?
[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone has a molecular weight of 276.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 139474935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).