2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one

C14H18N2O — CID 175925489

IUPAC2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
SMILESCN(C)CN1CC2(CC2)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O/c1-15(2)10-16-9-14(7-8-14)12-6-4-3-5-11(12)13(16)17/h3-6H,7-10H2,1-2H3
InChIKeyQRUSVHBRDIFPMX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.69
Rot. Bonds2

About 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one

2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 175925489) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
PubChem CID175925489
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
SMILESCN(C)CN1CC2(CC2)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O/c1-15(2)10-16-9-14(7-8-14)12-6-4-3-5-11(12)13(16)17/h3-6H,7-10H2,1-2H3
InChIKeyQRUSVHBRDIFPMX-UHFFFAOYSA-N
XLogP1.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one (CID 175925489) is 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one is CN(C)CN1CC2(CC2)c2ccccc2C1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is QRUSVHBRDIFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15(2)10-16-9-14(7-8-14)12-6-4-3-5-11(12)13(16)17/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one?
2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 230.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 175925489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).