2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one

C13H15NO — CID 70927083

IUPAC2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CC1CC1
InChIInChI=1S/C13H15NO/c15-13-12-4-2-1-3-11(12)7-8-14(13)9-10-5-6-10/h1-4,10H,5-9H2
InChIKeyBJLXWVQEDQLLIY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.09
Rot. Bonds2

About 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one

2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 70927083) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID70927083
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CC1CC1
InChIInChI=1S/C13H15NO/c15-13-12-4-2-1-3-11(12)7-8-14(13)9-10-5-6-10/h1-4,10H,5-9H2
InChIKeyBJLXWVQEDQLLIY-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one (CID 70927083) is 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is BJLXWVQEDQLLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-12-4-2-1-3-11(12)7-8-14(13)9-10-5-6-10/h1-4,10H,5-9H2.
What are the key properties of 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one?
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 70927083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).