6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine

C10H13NO — CID 155204466

IUPAC6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine
SMILESCC1(C)C=CC2=C(N=C1)OCC2
InChIInChI=1S/C10H13NO/c1-10(2)5-3-8-4-6-12-9(8)11-7-10/h3,5,7H,4,6H2,1-2H3
InChIKeyIPHGTJXTGMFEMC-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.29
Rot. Bonds

About 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine

6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine (PubChem CID 155204466) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine.

Molecular Properties

Compound Name6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine
PubChem CID155204466
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine
SMILESCC1(C)C=CC2=C(N=C1)OCC2
InChIInChI=1S/C10H13NO/c1-10(2)5-3-8-4-6-12-9(8)11-7-10/h3,5,7H,4,6H2,1-2H3
InChIKeyIPHGTJXTGMFEMC-UHFFFAOYSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine?
The IUPAC name of 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine (CID 155204466) is 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine.
What is the SMILES notation for 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine?
The canonical SMILES for 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine is CC1(C)C=CC2=C(N=C1)OCC2.
What is the InChIKey of 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine?
The InChIKey is IPHGTJXTGMFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)5-3-8-4-6-12-9(8)11-7-10/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine?
6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine has a molecular weight of 163.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine is sourced from PubChem (CID 155204466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).