(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C16H22N2O — CID 104558943

IUPAC(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C16H22N2O/c1-2-12-7-9-18(11-12)16(19)15-5-3-4-13-10-17-8-6-14(13)15/h3-5,12,17H,2,6-11H2,1H3
InChIKeyZGDYGTQEZHHOJY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.20
Rot. Bonds2

About (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 104558943) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID104558943
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C16H22N2O/c1-2-12-7-9-18(11-12)16(19)15-5-3-4-13-10-17-8-6-14(13)15/h3-5,12,17H,2,6-11H2,1H3
InChIKeyZGDYGTQEZHHOJY-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
CID 104557882
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558437
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 167825296
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)pentan-1-one
CID 116612471
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 104558943) is (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is CCC1CCN(C(=O)c2cccc3c2CCNC3)C1.
What is the InChIKey of (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is ZGDYGTQEZHHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-12-7-9-18(11-12)16(19)15-5-3-4-13-10-17-8-6-14(13)15/h3-5,12,17H,2,6-11H2,1H3.
What are the key properties of (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 104558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).