(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C17H20N2O — CID 41328427

IUPAC(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1ccc2ccccc2c1)C(=O)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-13(17(20)19-10-4-5-11-19)18-16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13,18H,4-5,10-11H2,1H3/t13-/m1/s1
InChIKeyQGWUAAMSGICMGU-CYBMUJFWSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds3

About (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 41328427) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID41328427
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1ccc2ccccc2c1)C(=O)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-13(17(20)19-10-4-5-11-19)18-16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13,18H,4-5,10-11H2,1H3/t13-/m1/s1
InChIKeyQGWUAAMSGICMGU-CYBMUJFWSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
2-(3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 112683085
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 41328427) is (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is C[C@@H](Nc1ccc2ccccc2c1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QGWUAAMSGICMGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(17(20)19-10-4-5-11-19)18-16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13,18H,4-5,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 41328427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).