(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole

C17H17FN2 — CID 142872989

IUPAC(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole
SMILESC=c1[nH]c2ccc(F)cc2/c1=C/c1[nH]c(C)c(C)c1C
InChIInChI=1S/C17H17FN2/c1-9-10(2)17(19-11(9)3)8-14-12(4)20-16-6-5-13(18)7-15(14)16/h5-8,19-20H,4H2,1-3H3/b14-8+
InChIKeyGYXSRDBNJZISNI-RIYZIHGNSA-N
MW268.34 g/mol
LogP2.80
Rot. Bonds1

About (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole

(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole (PubChem CID 142872989) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole.

Molecular Properties

Compound Name(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole
PubChem CID142872989
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole
SMILESC=c1[nH]c2ccc(F)cc2/c1=C/c1[nH]c(C)c(C)c1C
InChIInChI=1S/C17H17FN2/c1-9-10(2)17(19-11(9)3)8-14-12(4)20-16-6-5-13(18)7-15(14)16/h5-8,19-20H,4H2,1-3H3/b14-8+
InChIKeyGYXSRDBNJZISNI-RIYZIHGNSA-N
XLogP2.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole?
The IUPAC name of (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole (CID 142872989) is (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole.
What is the SMILES notation for (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole?
The canonical SMILES for (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole is C=c1[nH]c2ccc(F)cc2/c1=C/c1[nH]c(C)c(C)c1C.
What is the InChIKey of (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole?
The InChIKey is GYXSRDBNJZISNI-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H17FN2/c1-9-10(2)17(19-11(9)3)8-14-12(4)20-16-6-5-13(18)7-15(14)16/h5-8,19-20H,4H2,1-3H3/b14-8+.
What are the key properties of (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole?
(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole has a molecular weight of 268.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole is sourced from PubChem (CID 142872989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).