2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one

C15H19NO — CID 171660016

IUPAC2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
SMILESCC(C)c1ccc2c(c1)C1(CC1)CN(C)C2=O
InChIInChI=1S/C15H19NO/c1-10(2)11-4-5-12-13(8-11)15(6-7-15)9-16(3)14(12)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFYUSVOFCZVBEBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one

2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 171660016) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
PubChem CID171660016
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
SMILESCC(C)c1ccc2c(c1)C1(CC1)CN(C)C2=O
InChIInChI=1S/C15H19NO/c1-10(2)11-4-5-12-13(8-11)15(6-7-15)9-16(3)14(12)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFYUSVOFCZVBEBK-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one (CID 171660016) is 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one is CC(C)c1ccc2c(c1)C1(CC1)CN(C)C2=O.
What is the InChIKey of 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is FYUSVOFCZVBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)11-4-5-12-13(8-11)15(6-7-15)9-16(3)14(12)17/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 171660016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).