2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C12H15N — CID 167309537

IUPAC2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCC1CC12CNCc1ccccc12
InChIInChI=1S/C12H15N/c1-9-6-12(9)8-13-7-10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3
InChIKeyPXBYYGRZJIADGM-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.07
Rot. Bonds

About 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 167309537) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID167309537
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCC1CC12CNCc1ccccc12
InChIInChI=1S/C12H15N/c1-9-6-12(9)8-13-7-10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3
InChIKeyPXBYYGRZJIADGM-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] with MolForge

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Related Compounds

2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703604
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
7-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701783
1,1,2,3-tetramethyl-3,4-dihydronaphthalen-2-amine
CID 18983557
1-methyl-2,3-dihydroisoindole-1-carbaldehyde
CID 174709003
1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-amine
CID 67760848
(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
CID 90004163
3,3,5-trimethyl-1,2,4,5-tetrahydro-2-benzazepine;hydrochloride
CID 6603677
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 167309537) is 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is CC1CC12CNCc1ccccc12.
What is the InChIKey of 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is PXBYYGRZJIADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-6-12(9)8-13-7-10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 173.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 167309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).