3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

C16H22N2O — CID 62306274

IUPAC3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C2CCc3ccccc3C2)C1=O
InChIInChI=1S/C16H22N2O/c1-2-17-15-9-10-18(16(15)19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15,17H,2,7-11H2,1H3
InChIKeyACIJJWWBSPEHOS-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.75
Rot. Bonds3

About 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (PubChem CID 62306274) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
PubChem CID62306274
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C2CCc3ccccc3C2)C1=O
InChIInChI=1S/C16H22N2O/c1-2-17-15-9-10-18(16(15)19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15,17H,2,7-11H2,1H3
InChIKeyACIJJWWBSPEHOS-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (CID 62306274) is 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is CCNC1CCN(C2CCc3ccccc3C2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The InChIKey is ACIJJWWBSPEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-17-15-9-10-18(16(15)19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15,17H,2,7-11H2,1H3.
What are the key properties of 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 62306274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).