1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one

C15H13Cl2NO2 — CID 2805849

IUPAC1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H13Cl2NO2/c1-18(2)6-5-13(19)15-4-3-14(20-15)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3
InChIKeyZBTJBFWZRQUNCN-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.51
Rot. Bonds4

About 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one

1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 2805849) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID2805849
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H13Cl2NO2/c1-18(2)6-5-13(19)15-4-3-14(20-15)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3
InChIKeyZBTJBFWZRQUNCN-UHFFFAOYSA-N
XLogP4.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one (CID 2805849) is 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)C=CC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is ZBTJBFWZRQUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-18(2)6-5-13(19)15-4-3-14(20-15)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 310.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 2805849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).