1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen

C22H27NO2 — CID 142028695

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen
SMILESC=C(CC1(C)CCN(C2CCc3ccccc32)C1=O)c1ccc(C)o1.[H][H]
InChIInChI=1S/C22H25NO2.H2/c1-15(20-11-8-16(2)25-20)14-22(3)12-13-23(21(22)24)19-10-9-17-6-4-5-7-18(17)19;/h4-8,11,19H,1,9-10,12-14H2,2-3H3;1H
InChIKeyVEGSVJYOYBHCRE-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.16
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen

1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen (PubChem CID 142028695) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen
PubChem CID142028695
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen
SMILESC=C(CC1(C)CCN(C2CCc3ccccc32)C1=O)c1ccc(C)o1.[H][H]
InChIInChI=1S/C22H25NO2.H2/c1-15(20-11-8-16(2)25-20)14-22(3)12-13-23(21(22)24)19-10-9-17-6-4-5-7-18(17)19;/h4-8,11,19H,1,9-10,12-14H2,2-3H3;1H
InChIKeyVEGSVJYOYBHCRE-UHFFFAOYSA-N
XLogP5.16
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen (CID 142028695) is 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen is C=C(CC1(C)CCN(C2CCc3ccccc32)C1=O)c1ccc(C)o1.[H][H].
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen?
The InChIKey is VEGSVJYOYBHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.H2/c1-15(20-11-8-16(2)25-20)14-22(3)12-13-23(21(22)24)19-10-9-17-6-4-5-7-18(17)19;/h4-8,11,19H,1,9-10,12-14H2,2-3H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen?
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen has a molecular weight of 337.46 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 142028695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).