3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one

C15H15NO2 — CID 3483769

IUPAC3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15NO2/c1-16(2)13-8-5-12(6-9-13)7-10-14(17)15-4-3-11-18-15/h3-11H,1-2H3
InChIKeyHSRLRBJNFBZQDP-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.24
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one

3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 3483769) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one
PubChem CID3483769
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15NO2/c1-16(2)13-8-5-12(6-9-13)7-10-14(17)15-4-3-11-18-15/h3-11H,1-2H3
InChIKeyHSRLRBJNFBZQDP-UHFFFAOYSA-N
XLogP3.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one (CID 3483769) is 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one is CN(C)c1ccc(C=CC(=O)c2ccco2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is HSRLRBJNFBZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16(2)13-8-5-12(6-9-13)7-10-14(17)15-4-3-11-18-15/h3-11H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one?
3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 241.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 3483769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).