3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine

C19H23FN2 — CID 146429519

IUPAC3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine
SMILESC=C(c1c[nH]c(=C(\F)CC)/c1=C\CC)C(C)c1cccnc1
InChIInChI=1S/C19H23FN2/c1-5-8-16-17(12-22-19(16)18(20)6-2)14(4)13(3)15-9-7-10-21-11-15/h7-13,22H,4-6H2,1-3H3/b16-8-,19-18-
InChIKeyANYWBXPBCBMZMW-JKHDAHDYSA-N
MW298.40 g/mol
LogP3.90
Rot. Bonds5

About 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine

3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine (PubChem CID 146429519) has the molecular formula C19H23FN2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine
PubChem CID146429519
Molecular FormulaC19H23FN2
Molecular Weight298.40 g/mol
Exact Mass298.18
IUPAC Name3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine
SMILESC=C(c1c[nH]c(=C(\F)CC)/c1=C\CC)C(C)c1cccnc1
InChIInChI=1S/C19H23FN2/c1-5-8-16-17(12-22-19(16)18(20)6-2)14(4)13(3)15-9-7-10-21-11-15/h7-13,22H,4-6H2,1-3H3/b16-8-,19-18-
InChIKeyANYWBXPBCBMZMW-JKHDAHDYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole
CID 139374482
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
2-pyridin-3-ylpropanehydrazide
CID 116843938
3-pyridin-3-ylbutanal
CID 12727117
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
CID 134968632
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
3-pyridin-3-ylbutan-1-ol
CID 23506282
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine?
The IUPAC name of 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine (CID 146429519) is 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine.
What is the SMILES notation for 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine?
The canonical SMILES for 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine is C=C(c1c[nH]c(=C(\F)CC)/c1=C\CC)C(C)c1cccnc1.
What is the InChIKey of 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine?
The InChIKey is ANYWBXPBCBMZMW-JKHDAHDYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-5-8-16-17(12-22-19(16)18(20)6-2)14(4)13(3)15-9-7-10-21-11-15/h7-13,22H,4-6H2,1-3H3/b16-8-,19-18-.
What are the key properties of 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine?
3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine has a molecular weight of 298.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine is sourced from PubChem (CID 146429519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).