(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one

C11H13NO2 — CID 143127048

IUPAC(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)c(N)c/c1=C/CC
InChIInChI=1S/C11H13NO2/c1-3-5-8-7-9(12)11(13)14-10(8)6-4-2/h4-7H,2-3,12H2,1H3/b8-5-,10-6+
InChIKeyBDOSWNYEFAHHJZ-YBMVAOSUSA-N
MW191.23 g/mol
LogP0.38
Rot. Bonds2

About (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one

(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one (PubChem CID 143127048) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one.

Molecular Properties

Compound Name(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one
PubChem CID143127048
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)c(N)c/c1=C/CC
InChIInChI=1S/C11H13NO2/c1-3-5-8-7-9(12)11(13)14-10(8)6-4-2/h4-7H,2-3,12H2,1H3/b8-5-,10-6+
InChIKeyBDOSWNYEFAHHJZ-YBMVAOSUSA-N
XLogP0.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one?
The IUPAC name of (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one (CID 143127048) is (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one.
What is the SMILES notation for (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one?
The canonical SMILES for (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one is C=C/C=c1/oc(=O)c(N)c/c1=C/CC.
What is the InChIKey of (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one?
The InChIKey is BDOSWNYEFAHHJZ-YBMVAOSUSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-5-8-7-9(12)11(13)14-10(8)6-4-2/h4-7H,2-3,12H2,1H3/b8-5-,10-6+.
What are the key properties of (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one?
(5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-3-amino-6-prop-2-enylidene-5-propylidenepyran-2-one is sourced from PubChem (CID 143127048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).