5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one

C14H18N2O — CID 60727404

IUPAC5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCc3ccccc32)N1
InChIInChI=1S/C14H18N2O/c17-14-8-6-11(16-14)9-15-13-7-5-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeySEKMZSMNUZOSQA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds3

About 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one

5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one (PubChem CID 60727404) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
PubChem CID60727404
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCc3ccccc32)N1
InChIInChI=1S/C14H18N2O/c17-14-8-6-11(16-14)9-15-13-7-5-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeySEKMZSMNUZOSQA-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one (CID 60727404) is 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNC2CCc3ccccc32)N1.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is SEKMZSMNUZOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-8-6-11(16-14)9-15-13-7-5-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17).
What are the key properties of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one?
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).