5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]

C12H15NO2 — CID 105457553

IUPAC5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)NC2
InChIInChI=1S/C12H15NO2/c1-14-10-5-8-7-13-12(3-4-12)9(8)6-11(10)15-2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPOFCKYFADIHWQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds2

About 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]

5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane] (PubChem CID 105457553) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane].

Molecular Properties

Compound Name5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
PubChem CID105457553
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)NC2
InChIInChI=1S/C12H15NO2/c1-14-10-5-8-7-13-12(3-4-12)9(8)6-11(10)15-2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPOFCKYFADIHWQP-UHFFFAOYSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The IUPAC name of 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane] (CID 105457553) is 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane].
What is the SMILES notation for 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The canonical SMILES for 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane] is COc1cc2c(cc1OC)C1(CC1)NC2.
What is the InChIKey of 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
The InChIKey is POFCKYFADIHWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-10-5-8-7-13-12(3-4-12)9(8)6-11(10)15-2/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]?
5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane] has a molecular weight of 205.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane] is sourced from PubChem (CID 105457553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).