(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine

C19H25FN4 — CID 143567329

IUPAC(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine
SMILESC=CC(F)/C=C\C(=C/C)C(N=C)=C(/C(N)=C/C=N/C)N1C=CCC1
InChIInChI=1S/C19H25FN4/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3/b10-9-,15-5+,17-11-,19-18-,22-12+
InChIKeyWYDFQLXLPNFFJY-WJNUOPGZSA-N
MW328.44 g/mol
LogP3.69
Rot. Bonds8

About (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine

(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine (PubChem CID 143567329) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine.

Molecular Properties

Compound Name(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine
PubChem CID143567329
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine
SMILESC=CC(F)/C=C\C(=C/C)C(N=C)=C(/C(N)=C/C=N/C)N1C=CCC1
InChIInChI=1S/C19H25FN4/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3/b10-9-,15-5+,17-11-,19-18-,22-12+
InChIKeyWYDFQLXLPNFFJY-WJNUOPGZSA-N
XLogP3.69
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine with MolForge

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Related Compounds

(Z)-3-fluoro-4-[1-[(4Z)-1-methyl-4-[(Z)-2-methylbut-2-enylidene]-5-methylidenepyrrol-3-yl]ethenylimino]but-2-en-2-amine
CID 135244534
(E)-N'-[7-[1-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]ethenyl]-5-methyl-2H-1,4-diazepin-6-yl]-N'-methylethene-1,2-diamine
CID 143343139
(E)-3-[2-[ethyl(propyl)amino]propylimino]-2-(4-fluoro-2H-azepin-7-yl)prop-1-en-1-amine
CID 170977911
(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine
CID 131995943
(2E,4Z)-3-(1-methyl-4,9-dimethylideneazonin-2-yl)hexa-2,4-dien-1-imine
CID 146604711
(1Z)-2-N-[3-[[(2Z)-3-ethylpenta-2,4-dienylidene]amino]propyl]-3-methyl-2-N-propylbuta-1,3-diene-1,2-diamine
CID 166904451
(3E,5E)-5-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]penta-1,4-dien-2-yl]-6-(prop-2-enylideneamino)octa-1,3,5-trien-4-amine
CID 169691057
7-ethenylimino-N-methyl-4-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]hepta-1,3,5-trien-3-amine
CID 173739228

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine?
The IUPAC name of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine (CID 143567329) is (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine.
What is the SMILES notation for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine?
The canonical SMILES for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine is C=CC(F)/C=C\C(=C/C)C(N=C)=C(/C(N)=C/C=N/C)N1C=CCC1.
What is the InChIKey of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine?
The InChIKey is WYDFQLXLPNFFJY-WJNUOPGZSA-N. The full InChI is InChI=1S/C19H25FN4/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3/b10-9-,15-5+,17-11-,19-18-,22-12+.
What are the key properties of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine?
(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine has a molecular weight of 328.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine is sourced from PubChem (CID 143567329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).