2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C23H22N2O5 — CID 4532582

IUPAC2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C23H22N2O5/c1-14-6-11-18(30-14)21(26)19-20(15-7-9-16(10-8-15)24(2)3)25(23(28)22(19)27)13-17-5-4-12-29-17/h4-12,20,27H,13H2,1-3H3
InChIKeySCVYCUGZQKPNPE-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 4532582) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID4532582
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C23H22N2O5/c1-14-6-11-18(30-14)21(26)19-20(15-7-9-16(10-8-15)24(2)3)25(23(28)22(19)27)13-17-5-4-12-29-17/h4-12,20,27H,13H2,1-3H3
InChIKeySCVYCUGZQKPNPE-UHFFFAOYSA-N
XLogP4.03
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 4532582) is 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(N(C)C)cc2)o1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is SCVYCUGZQKPNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-14-6-11-18(30-14)21(26)19-20(15-7-9-16(10-8-15)24(2)3)25(23(28)22(19)27)13-17-5-4-12-29-17/h4-12,20,27H,13H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 406.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4532582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).