(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen

C21H30N2O — CID 156715808

IUPAC(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen
SMILESC=Cc1[nH]/c(=C2/Nc3ccccc3C2=O)c(=C)c1C=C.CC.CC.[H][H].[H][H]
InChIInChI=1S/C17H14N2O.2C2H6.2H2/c1-4-11-10(3)15(18-13(11)5-2)16-17(20)12-8-6-7-9-14(12)19-16;2*1-2;;/h4-9,18-19H,1-3H2;2*1-2H3;2*1H/b16-15+;;;;
InChIKeyPNVXAYCFHNCFTJ-JEEAYVPESA-N
MW326.48 g/mol
LogP4.67
Rot. Bonds2

About (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen

(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen (PubChem CID 156715808) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen
PubChem CID156715808
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen
SMILESC=Cc1[nH]/c(=C2/Nc3ccccc3C2=O)c(=C)c1C=C.CC.CC.[H][H].[H][H]
InChIInChI=1S/C17H14N2O.2C2H6.2H2/c1-4-11-10(3)15(18-13(11)5-2)16-17(20)12-8-6-7-9-14(12)19-16;2*1-2;;/h4-9,18-19H,1-3H2;2*1-2H3;2*1H/b16-15+;;;;
InChIKeyPNVXAYCFHNCFTJ-JEEAYVPESA-N
XLogP4.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen?
The IUPAC name of (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen (CID 156715808) is (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen.
What is the SMILES notation for (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen?
The canonical SMILES for (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen is C=Cc1[nH]/c(=C2/Nc3ccccc3C2=O)c(=C)c1C=C.CC.CC.[H][H].[H][H].
What is the InChIKey of (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen?
The InChIKey is PNVXAYCFHNCFTJ-JEEAYVPESA-N. The full InChI is InChI=1S/C17H14N2O.2C2H6.2H2/c1-4-11-10(3)15(18-13(11)5-2)16-17(20)12-8-6-7-9-14(12)19-16;2*1-2;;/h4-9,18-19H,1-3H2;2*1-2H3;2*1H/b16-15+;;;;.
What are the key properties of (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen?
(2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen has a molecular weight of 326.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[4,5-bis(ethenyl)-3-methylidene-1H-pyrrol-2-ylidene]-1H-indol-3-one;ethane;molecular hydrogen is sourced from PubChem (CID 156715808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).