4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one

C13H14N2O2 — CID 42625745

IUPAC4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one
SMILESCN(C)/C=C/c1ccn(-c2ccoc2)c(=O)c1
InChIInChI=1S/C13H14N2O2/c1-14(2)6-3-11-4-7-15(13(16)9-11)12-5-8-17-10-12/h3-10H,1-2H3/b6-3+
InChIKeyNMCODHIWXNBQTR-ZZXKWVIFSA-N
MW230.27 g/mol
LogP1.96
Rot. Bonds3

About 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one

4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one (PubChem CID 42625745) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one
PubChem CID42625745
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one
SMILESCN(C)/C=C/c1ccn(-c2ccoc2)c(=O)c1
InChIInChI=1S/C13H14N2O2/c1-14(2)6-3-11-4-7-15(13(16)9-11)12-5-8-17-10-12/h3-10H,1-2H3/b6-3+
InChIKeyNMCODHIWXNBQTR-ZZXKWVIFSA-N
XLogP1.96
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one (CID 42625745) is 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one is CN(C)/C=C/c1ccn(-c2ccoc2)c(=O)c1.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one?
The InChIKey is NMCODHIWXNBQTR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14(2)6-3-11-4-7-15(13(16)9-11)12-5-8-17-10-12/h3-10H,1-2H3/b6-3+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one?
4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one is sourced from PubChem (CID 42625745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).