6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]

C12H18N2O — CID 112715956

IUPAC6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]
SMILESCC1(C)CCc2cnoc2C12CCNC2
InChIInChI=1S/C12H18N2O/c1-11(2)4-3-9-7-14-15-10(9)12(11)5-6-13-8-12/h7,13H,3-6,8H2,1-2H3
InChIKeyQSRVIRQPMDMNDS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds

About 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]

6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine] (PubChem CID 112715956) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine].

Molecular Properties

Compound Name6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]
PubChem CID112715956
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]
SMILESCC1(C)CCc2cnoc2C12CCNC2
InChIInChI=1S/C12H18N2O/c1-11(2)4-3-9-7-14-15-10(9)12(11)5-6-13-8-12/h7,13H,3-6,8H2,1-2H3
InChIKeyQSRVIRQPMDMNDS-UHFFFAOYSA-N
XLogP1.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]?
The IUPAC name of 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine] (CID 112715956) is 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine].
What is the SMILES notation for 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]?
The canonical SMILES for 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine] is CC1(C)CCc2cnoc2C12CCNC2.
What is the InChIKey of 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]?
The InChIKey is QSRVIRQPMDMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2)4-3-9-7-14-15-10(9)12(11)5-6-13-8-12/h7,13H,3-6,8H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]?
6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine] has a molecular weight of 206.29 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine] is sourced from PubChem (CID 112715956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).