1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one

C18H24N2O2 — CID 45212288

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCOCC2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H24N2O2/c21-18-11-16(19-15-5-7-22-8-6-15)12-20(18)17-9-13-3-1-2-4-14(13)10-17/h1-4,15-17,19H,5-12H2
InChIKeyKCGYBDWCGXCTRX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.52
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one (PubChem CID 45212288) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one
PubChem CID45212288
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCOCC2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H24N2O2/c21-18-11-16(19-15-5-7-22-8-6-15)12-20(18)17-9-13-3-1-2-4-14(13)10-17/h1-4,15-17,19H,5-12H2
InChIKeyKCGYBDWCGXCTRX-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one (CID 45212288) is 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one is O=C1CC(NC2CCOCC2)CN1C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one?
The InChIKey is KCGYBDWCGXCTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18-11-16(19-15-5-7-22-8-6-15)12-20(18)17-9-13-3-1-2-4-14(13)10-17/h1-4,15-17,19H,5-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 45212288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).