2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine

C9H9NO2 — CID 176544443

IUPAC2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine
SMILESNC1=CC2=C(C=C=C1)OCCO2
InChIInChI=1S/C9H9NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5,10H2
InChIKeyKPZSNFJDHRMYAN-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.81
Rot. Bonds

About 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine

2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine (PubChem CID 176544443) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine
PubChem CID176544443
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine
SMILESNC1=CC2=C(C=C=C1)OCCO2
InChIInChI=1S/C9H9NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5,10H2
InChIKeyKPZSNFJDHRMYAN-UHFFFAOYSA-N
XLogP0.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine?
The IUPAC name of 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine (CID 176544443) is 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine.
What is the SMILES notation for 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine?
The canonical SMILES for 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine is NC1=CC2=C(C=C=C1)OCCO2.
What is the InChIKey of 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine?
The InChIKey is KPZSNFJDHRMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5,10H2.
What are the key properties of 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine?
2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine has a molecular weight of 163.18 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b][1,4]dioxin-6-amine is sourced from PubChem (CID 176544443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).