5,5-dimethylfuro[3,2-b]azepine;ethane

C12H17NO — CID 143254008

IUPAC5,5-dimethylfuro[3,2-b]azepine;ethane
SMILESCC.CC1(C)C=CC=c2occc2=N1
InChIInChI=1S/C10H11NO.C2H6/c1-10(2)6-3-4-9-8(11-10)5-7-12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyLDRAUMNHMIANHN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.05
Rot. Bonds

About 5,5-dimethylfuro[3,2-b]azepine;ethane

5,5-dimethylfuro[3,2-b]azepine;ethane (PubChem CID 143254008) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5,5-dimethylfuro[3,2-b]azepine;ethane.

Molecular Properties

Compound Name5,5-dimethylfuro[3,2-b]azepine;ethane
PubChem CID143254008
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5,5-dimethylfuro[3,2-b]azepine;ethane
SMILESCC.CC1(C)C=CC=c2occc2=N1
InChIInChI=1S/C10H11NO.C2H6/c1-10(2)6-3-4-9-8(11-10)5-7-12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyLDRAUMNHMIANHN-UHFFFAOYSA-N
XLogP2.05
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylfuro[3,2-b]azepine;ethane?
The IUPAC name of 5,5-dimethylfuro[3,2-b]azepine;ethane (CID 143254008) is 5,5-dimethylfuro[3,2-b]azepine;ethane.
What is the SMILES notation for 5,5-dimethylfuro[3,2-b]azepine;ethane?
The canonical SMILES for 5,5-dimethylfuro[3,2-b]azepine;ethane is CC.CC1(C)C=CC=c2occc2=N1.
What is the InChIKey of 5,5-dimethylfuro[3,2-b]azepine;ethane?
The InChIKey is LDRAUMNHMIANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-10(2)6-3-4-9-8(11-10)5-7-12-9;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 5,5-dimethylfuro[3,2-b]azepine;ethane?
5,5-dimethylfuro[3,2-b]azepine;ethane has a molecular weight of 191.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylfuro[3,2-b]azepine;ethane is sourced from PubChem (CID 143254008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).