(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one

C9H11NO2 — CID 89073777

IUPAC(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one
SMILESC/C=C(N)\C=C1\C=CC(=O)OC1
InChIInChI=1S/C9H11NO2/c1-2-8(10)5-7-3-4-9(11)12-6-7/h2-5H,6,10H2,1H3/b7-5-,8-2+
InChIKeyMCTPZHNZADGDOA-DRXHRCPHSA-N
MW165.19 g/mol
LogP0.89
Rot. Bonds1

About (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one

(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one (PubChem CID 89073777) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one
PubChem CID89073777
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one
SMILESC/C=C(N)\C=C1\C=CC(=O)OC1
InChIInChI=1S/C9H11NO2/c1-2-8(10)5-7-3-4-9(11)12-6-7/h2-5H,6,10H2,1H3/b7-5-,8-2+
InChIKeyMCTPZHNZADGDOA-DRXHRCPHSA-N
XLogP0.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one?
The IUPAC name of (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one (CID 89073777) is (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one.
What is the SMILES notation for (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one?
The canonical SMILES for (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one is C/C=C(N)\C=C1\C=CC(=O)OC1.
What is the InChIKey of (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one?
The InChIKey is MCTPZHNZADGDOA-DRXHRCPHSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8(10)5-7-3-4-9(11)12-6-7/h2-5H,6,10H2,1H3/b7-5-,8-2+.
What are the key properties of (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one?
(5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one has a molecular weight of 165.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-2-aminobut-2-enylidene]pyran-2-one is sourced from PubChem (CID 89073777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).