(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine

C16H16F3N3 — CID 171102686

IUPAC(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine
SMILESC=C(C)NC(/C(=C\C)C(F)(F)F)=c1/cnc2c(=C)[nH]ccc1=2
InChIInChI=1S/C16H16F3N3/c1-5-13(16(17,18)19)15(22-9(2)3)12-8-21-14-10(4)20-7-6-11(12)14/h5-8,20,22H,2,4H2,1,3H3/b13-5+,15-12-
InChIKeyFWGCOYPRVBKNFO-CIBVNIPVSA-N
MW307.32 g/mol
LogP2.28
Rot. Bonds3

About (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine

(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine (PubChem CID 171102686) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine
PubChem CID171102686
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine
SMILESC=C(C)NC(/C(=C\C)C(F)(F)F)=c1/cnc2c(=C)[nH]ccc1=2
InChIInChI=1S/C16H16F3N3/c1-5-13(16(17,18)19)15(22-9(2)3)12-8-21-14-10(4)20-7-6-11(12)14/h5-8,20,22H,2,4H2,1,3H3/b13-5+,15-12-
InChIKeyFWGCOYPRVBKNFO-CIBVNIPVSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine with MolForge

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Related Compounds

(Z)-1-N-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-5-[[(Z)-2-fluoro-3-(propylamino)but-2-enylidene]amino]pent-1-ene-1,2-diamine
CID 130321334
(2Z,4Z)-1-[[2-[1-(ethylamino)ethenyl]-1,4-dihydropyridin-3-yl]methylideneamino]-8,8-difluoro-4-methyl-8-phosphanylocta-2,4-diene-2,5-diamine
CID 137247853
(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
CID 167255954
difluoromethane;(E)-4-[[(E)-2-methyl-3-(propylideneamino)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]prop-2-enylidene]amino]-N-propylbut-2-en-2-amine;uranium(2+)
CID 167492539
ethane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
CID 167492987
(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
(2E)-N-ethenyl-2-[3-[(8Z)-8-ethylidene-2,7-dimethyl-2,3-dihydro-1H-1,4-diazocin-6-yl]-4-fluorocyclohexa-2,4-dien-1-ylidene]ethanimine
CID 173841405
(4Z,6E)-1-[(4Z,6E)-7-fluoro-5-methylnona-4,6-dienyl]imino-2,8-dimethyl-5-N-(2,2,2-trifluoroethyl)nona-2,4,6,8-tetraene-3,5-diamine
CID 174097133
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CID 162588769
N-ethyl-3-[[(2Z,4Z,6Z)-7-methyl-2-(2-methylprop-2-enylidene)nona-4,6,8-trienylidene]amino]prop-1-en-2-amine
CID 156332564
(5Z,7E,8Z)-2-N-ethenyl-7-ethylidene-3-N-methyl-4-methylidene-8-(methyliminomethyl)undeca-1,5,8-triene-2,3-diamine
CID 143510031

Frequently Asked Questions

What is the IUPAC name of (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine?
The IUPAC name of (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine (CID 171102686) is (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine.
What is the SMILES notation for (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine?
The canonical SMILES for (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine is C=C(C)NC(/C(=C\C)C(F)(F)F)=c1/cnc2c(=C)[nH]ccc1=2.
What is the InChIKey of (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine?
The InChIKey is FWGCOYPRVBKNFO-CIBVNIPVSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-5-13(16(17,18)19)15(22-9(2)3)12-8-21-14-10(4)20-7-6-11(12)14/h5-8,20,22H,2,4H2,1,3H3/b13-5+,15-12-.
What are the key properties of (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine?
(E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine has a molecular weight of 307.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1E)-1-(7-methylidene-6H-pyrrolo[2,3-c]pyridin-3-ylidene)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-amine is sourced from PubChem (CID 171102686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).