(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine

C17H18N2 — CID 144681480

IUPAC(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
SMILESC=C/C=c1/cc2n(/c1=C/C)CCc1ccc(C)nc1-2
InChIInChI=1S/C17H18N2/c1-4-6-14-11-16-17-13(8-7-12(3)18-17)9-10-19(16)15(14)5-2/h4-8,11H,1,9-10H2,2-3H3/b14-6-,15-5+
InChIKeyZAVUOABAKYFVKY-WCZISFQRSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds1

About (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine

(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine (PubChem CID 144681480) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine.

Molecular Properties

Compound Name(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
PubChem CID144681480
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
SMILESC=C/C=c1/cc2n(/c1=C/C)CCc1ccc(C)nc1-2
InChIInChI=1S/C17H18N2/c1-4-6-14-11-16-17-13(8-7-12(3)18-17)9-10-19(16)15(14)5-2/h4-8,11H,1,9-10H2,2-3H3/b14-6-,15-5+
InChIKeyZAVUOABAKYFVKY-WCZISFQRSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The IUPAC name of (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine (CID 144681480) is (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine.
What is the SMILES notation for (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The canonical SMILES for (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine is C=C/C=c1/cc2n(/c1=C/C)CCc1ccc(C)nc1-2.
What is the InChIKey of (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The InChIKey is ZAVUOABAKYFVKY-WCZISFQRSA-N. The full InChI is InChI=1S/C17H18N2/c1-4-6-14-11-16-17-13(8-7-12(3)18-17)9-10-19(16)15(14)5-2/h4-8,11H,1,9-10H2,2-3H3/b14-6-,15-5+.
What are the key properties of (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
(8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine has a molecular weight of 250.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,9Z)-8-ethylidene-2-methyl-9-prop-2-enylidene-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine is sourced from PubChem (CID 144681480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).