2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline

C14H19NO — CID 10130630

IUPAC2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCCO1
InChIInChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNIRVSFOGPJHFPV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline

2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10130630) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID10130630
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCCO1
InChIInChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNIRVSFOGPJHFPV-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline (CID 10130630) is 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1C1CCCO1.
What is the InChIKey of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NIRVSFOGPJHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).