2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride

C16H23ClN2O — CID 86813621

IUPAC2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1C1CCCc2ccccc21
InChIInChI=1S/C16H22N2O.ClH/c17-11-16(19)18-10-4-9-15(18)14-8-3-6-12-5-1-2-7-13(12)14;/h1-2,5,7,14-15H,3-4,6,8-11,17H2;1H
InChIKeyVQLROLDDTNYYBM-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.48
Rot. Bonds2

About 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride

2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 86813621) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID86813621
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1C1CCCc2ccccc21
InChIInChI=1S/C16H22N2O.ClH/c17-11-16(19)18-10-4-9-15(18)14-8-3-6-12-5-1-2-7-13(12)14;/h1-2,5,7,14-15H,3-4,6,8-11,17H2;1H
InChIKeyVQLROLDDTNYYBM-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 71923230
2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
CID 84595125
2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-aminophenyl)methanone
CID 67224595
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
CID 97220862
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 84585850
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-amino-3-chlorophenyl)methanone
CID 58294602
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 86654134
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2H-benzotriazol-5-yl)methanone
CID 67969110
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 58294448
(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 97225607

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 86813621) is 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCCC1C1CCCc2ccccc21.
What is the InChIKey of 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is VQLROLDDTNYYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c17-11-16(19)18-10-4-9-15(18)14-8-3-6-12-5-1-2-7-13(12)14;/h1-2,5,7,14-15H,3-4,6,8-11,17H2;1H.
What are the key properties of 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride?
2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 86813621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).