(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine

C13H19NO — CID 142950525

IUPAC(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine
SMILESCC/C=c1/c(C)cn2c1=C(C)OCC2C
InChIInChI=1S/C13H19NO/c1-5-6-12-9(2)7-14-10(3)8-15-11(4)13(12)14/h6-7,10H,5,8H2,1-4H3/b12-6-
InChIKeyQNKQEMXFKRGUBY-SDQBBNPISA-N
MW205.30 g/mol
LogP1.71
Rot. Bonds1

About (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine

(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 142950525) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine
PubChem CID142950525
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine
SMILESCC/C=c1/c(C)cn2c1=C(C)OCC2C
InChIInChI=1S/C13H19NO/c1-5-6-12-9(2)7-14-10(3)8-15-11(4)13(12)14/h6-7,10H,5,8H2,1-4H3/b12-6-
InChIKeyQNKQEMXFKRGUBY-SDQBBNPISA-N
XLogP1.71
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine (CID 142950525) is (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine is CC/C=c1/c(C)cn2c1=C(C)OCC2C.
What is the InChIKey of (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is QNKQEMXFKRGUBY-SDQBBNPISA-N. The full InChI is InChI=1S/C13H19NO/c1-5-6-12-9(2)7-14-10(3)8-15-11(4)13(12)14/h6-7,10H,5,8H2,1-4H3/b12-6-.
What are the key properties of (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine?
(8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine has a molecular weight of 205.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1,4,7-trimethyl-8-propylidene-3,4-dihydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 142950525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).