1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one

C17H21N3O — CID 82898976

IUPAC1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
SMILESNCC1c2ccccc2CCN1CCn1ccccc1=O
InChIInChI=1S/C17H21N3O/c18-13-16-15-6-2-1-5-14(15)8-10-19(16)11-12-20-9-4-3-7-17(20)21/h1-7,9,16H,8,10-13,18H2
InChIKeyKUNBCVXTGQLFOY-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one

1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one (PubChem CID 82898976) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
PubChem CID82898976
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
SMILESNCC1c2ccccc2CCN1CCn1ccccc1=O
InChIInChI=1S/C17H21N3O/c18-13-16-15-6-2-1-5-14(15)8-10-19(16)11-12-20-9-4-3-7-17(20)21/h1-7,9,16H,8,10-13,18H2
InChIKeyKUNBCVXTGQLFOY-UHFFFAOYSA-N
XLogP1.41
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one (CID 82898976) is 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one is NCC1c2ccccc2CCN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one?
The InChIKey is KUNBCVXTGQLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-13-16-15-6-2-1-5-14(15)8-10-19(16)11-12-20-9-4-3-7-17(20)21/h1-7,9,16H,8,10-13,18H2.
What are the key properties of 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one?
1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one has a molecular weight of 283.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).