3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one

C15H16N2O2 — CID 90685630

IUPAC3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one
SMILESCN(C)c1ccc(/N=C/CC(=O)c2ccoc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-6,8-11H,7H2,1-2H3/b16-9+
InChIKeyJLHCZLGXUROQBN-CXUHLZMHSA-N
MW256.30 g/mol
LogP3.32
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one

3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one (PubChem CID 90685630) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one
PubChem CID90685630
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one
SMILESCN(C)c1ccc(/N=C/CC(=O)c2ccoc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-6,8-11H,7H2,1-2H3/b16-9+
InChIKeyJLHCZLGXUROQBN-CXUHLZMHSA-N
XLogP3.32
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one (CID 90685630) is 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one is CN(C)c1ccc(/N=C/CC(=O)c2ccoc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one?
The InChIKey is JLHCZLGXUROQBN-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-6,8-11H,7H2,1-2H3/b16-9+.
What are the key properties of 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one?
3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]imino-1-(furan-3-yl)propan-1-one is sourced from PubChem (CID 90685630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).