6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]

C11H13N — CID 115012486

IUPAC6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
SMILESCc1ccc2c(c1)CNC21CC1
InChIInChI=1S/C11H13N/c1-8-2-3-10-9(6-8)7-12-11(10)4-5-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyIUXJRJFNFORTAK-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.09
Rot. Bonds

About 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]

6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane] (PubChem CID 115012486) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane].

Molecular Properties

Compound Name6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
PubChem CID115012486
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
SMILESCc1ccc2c(c1)CNC21CC1
InChIInChI=1S/C11H13N/c1-8-2-3-10-9(6-8)7-12-11(10)4-5-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyIUXJRJFNFORTAK-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 105457553
5-fluorospiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012818
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
CID 104696992
6-methyl-2-methylidenespiro[1H-indene-3,1'-cyclopropane]
CID 167646875
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
CID 22978924
7-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012488
3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 123699781
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The IUPAC name of 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane] (CID 115012486) is 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane].
What is the SMILES notation for 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The canonical SMILES for 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane] is Cc1ccc2c(c1)CNC21CC1.
What is the InChIKey of 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The InChIKey is IUXJRJFNFORTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-2-3-10-9(6-8)7-12-11(10)4-5-11/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane] has a molecular weight of 159.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane] is sourced from PubChem (CID 115012486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).