4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one

C14H18N2O2 — CID 53439627

IUPAC4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one
SMILESCN(C)CC1=C(N(C)c2ccccc2)COC1=O
InChIInChI=1S/C14H18N2O2/c1-15(2)9-12-13(10-18-14(12)17)16(3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyFTYPFXXOUHSABS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds4

About 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one

4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one (PubChem CID 53439627) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one
PubChem CID53439627
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one
SMILESCN(C)CC1=C(N(C)c2ccccc2)COC1=O
InChIInChI=1S/C14H18N2O2/c1-15(2)9-12-13(10-18-14(12)17)16(3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyFTYPFXXOUHSABS-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one?
The IUPAC name of 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one (CID 53439627) is 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one is CN(C)CC1=C(N(C)c2ccccc2)COC1=O.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one?
The InChIKey is FTYPFXXOUHSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15(2)9-12-13(10-18-14(12)17)16(3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one?
4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one has a molecular weight of 246.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-(N-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 53439627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).