(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine

C18H19F3N4 — CID 142976386

IUPAC(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine
SMILESC=N/C(=C(C(/N)=C/C=N/C)\N1C=CCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4/c1-23-9-8-15(22)17(25-10-3-4-11-25)16(24-2)13-6-5-7-14(12-13)18(19,20)21/h3,5-10,12H,2,4,11,22H2,1H3/b15-8-,17-16-,23-9+
InChIKeyIGZMMPUDOSZAGF-JWBOAQQGSA-N
MW348.37 g/mol
LogP3.84
Rot. Bonds5

About (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine

(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine (PubChem CID 142976386) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine
PubChem CID142976386
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC Name(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine
SMILESC=N/C(=C(C(/N)=C/C=N/C)\N1C=CCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4/c1-23-9-8-15(22)17(25-10-3-4-11-25)16(24-2)13-6-5-7-14(12-13)18(19,20)21/h3,5-10,12H,2,4,11,22H2,1H3/b15-8-,17-16-,23-9+
InChIKeyIGZMMPUDOSZAGF-JWBOAQQGSA-N
XLogP3.84
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine (CID 142976386) is (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine is C=N/C(=C(C(/N)=C/C=N/C)\N1C=CCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine?
The InChIKey is IGZMMPUDOSZAGF-JWBOAQQGSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-23-9-8-15(22)17(25-10-3-4-11-25)16(24-2)13-6-5-7-14(12-13)18(19,20)21/h3,5-10,12H,2,4,11,22H2,1H3/b15-8-,17-16-,23-9+.
What are the key properties of (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine?
(1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine has a molecular weight of 348.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-(2,3-dihydropyrrol-1-yl)-1-(methylideneamino)-5-methylimino-1-[3-(trifluoromethyl)phenyl]penta-1,3-dien-3-amine is sourced from PubChem (CID 142976386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).