4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one

C19H21NO2 — CID 54584086

IUPAC4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESO=c1cc(NC2CCCCC2)cc(/C=C/c2ccccc2)o1
InChIInChI=1S/C19H21NO2/c21-19-14-17(20-16-9-5-2-6-10-16)13-18(22-19)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,20H,2,5-6,9-10H2/b12-11+
InChIKeyAIMGABDERFBOQI-VAWYXSNFSA-N
MW295.38 g/mol
LogP4.55
Rot. Bonds4

About 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one

4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one (PubChem CID 54584086) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one
PubChem CID54584086
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESO=c1cc(NC2CCCCC2)cc(/C=C/c2ccccc2)o1
InChIInChI=1S/C19H21NO2/c21-19-14-17(20-16-9-5-2-6-10-16)13-18(22-19)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,20H,2,5-6,9-10H2/b12-11+
InChIKeyAIMGABDERFBOQI-VAWYXSNFSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one?
The IUPAC name of 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one (CID 54584086) is 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one.
What is the SMILES notation for 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one?
The canonical SMILES for 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one is O=c1cc(NC2CCCCC2)cc(/C=C/c2ccccc2)o1.
What is the InChIKey of 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one?
The InChIKey is AIMGABDERFBOQI-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19-14-17(20-16-9-5-2-6-10-16)13-18(22-19)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,20H,2,5-6,9-10H2/b12-11+.
What are the key properties of 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one?
4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one has a molecular weight of 295.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-6-[(E)-2-phenylethenyl]pyran-2-one is sourced from PubChem (CID 54584086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).