1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]

C13H19NO — CID 165466327

IUPAC1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]
SMILESCC1(C)CCC2(C1)NCCc1occc12
InChIInChI=1S/C13H19NO/c1-12(2)5-6-13(9-12)10-4-8-15-11(10)3-7-14-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyLJDKCTIJPXKEGD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.83
Rot. Bonds

About 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]

1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane] (PubChem CID 165466327) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane].

Molecular Properties

Compound Name1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]
PubChem CID165466327
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]
SMILESCC1(C)CCC2(C1)NCCc1occc12
InChIInChI=1S/C13H19NO/c1-12(2)5-6-13(9-12)10-4-8-15-11(10)3-7-14-13/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyLJDKCTIJPXKEGD-UHFFFAOYSA-N
XLogP2.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]?
The IUPAC name of 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane] (CID 165466327) is 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane].
What is the SMILES notation for 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]?
The canonical SMILES for 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane] is CC1(C)CCC2(C1)NCCc1occc12.
What is the InChIKey of 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]?
The InChIKey is LJDKCTIJPXKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)5-6-13(9-12)10-4-8-15-11(10)3-7-14-13/h4,8,14H,3,5-7,9H2,1-2H3.
What are the key properties of 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane]?
1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane] has a molecular weight of 205.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dimethylspiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,3'-cyclopentane] is sourced from PubChem (CID 165466327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).