4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine

C10H15NO2 — CID 89074129

IUPAC4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCOC2)=CC1
InChIInChI=1S/C10H15NO2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10H,2,5-7,11H2
InChIKeyWVUSAQJHNARDHT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.96
Rot. Bonds2

About 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine

4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine (PubChem CID 89074129) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine
PubChem CID89074129
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCOC2)=CC1
InChIInChI=1S/C10H15NO2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10H,2,5-7,11H2
InChIKeyWVUSAQJHNARDHT-UHFFFAOYSA-N
XLogP0.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine (CID 89074129) is 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine is NC1C=CC(OC2CCOC2)=CC1.
What is the InChIKey of 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is WVUSAQJHNARDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10H,2,5-7,11H2.
What are the key properties of 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine?
4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).