8,9a-dihydropyrano[3,2-g]chromen-6-amine

C12H11NO2 — CID 18678003

IUPAC8,9a-dihydropyrano[3,2-g]chromen-6-amine
SMILESNC1=CCOC2C=C3OC=CC=C3C=C12
InChIInChI=1S/C12H11NO2/c13-10-3-5-15-12-7-11-8(6-9(10)12)2-1-4-14-11/h1-4,6-7,12H,5,13H2
InChIKeyYRUNLIABNJRLRM-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.52
Rot. Bonds

About 8,9a-dihydropyrano[3,2-g]chromen-6-amine

8,9a-dihydropyrano[3,2-g]chromen-6-amine (PubChem CID 18678003) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 8,9a-dihydropyrano[3,2-g]chromen-6-amine.

Molecular Properties

Compound Name8,9a-dihydropyrano[3,2-g]chromen-6-amine
PubChem CID18678003
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name8,9a-dihydropyrano[3,2-g]chromen-6-amine
SMILESNC1=CCOC2C=C3OC=CC=C3C=C12
InChIInChI=1S/C12H11NO2/c13-10-3-5-15-12-7-11-8(6-9(10)12)2-1-4-14-11/h1-4,6-7,12H,5,13H2
InChIKeyYRUNLIABNJRLRM-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9a-dihydropyrano[3,2-g]chromen-6-amine?
The IUPAC name of 8,9a-dihydropyrano[3,2-g]chromen-6-amine (CID 18678003) is 8,9a-dihydropyrano[3,2-g]chromen-6-amine.
What is the SMILES notation for 8,9a-dihydropyrano[3,2-g]chromen-6-amine?
The canonical SMILES for 8,9a-dihydropyrano[3,2-g]chromen-6-amine is NC1=CCOC2C=C3OC=CC=C3C=C12.
What is the InChIKey of 8,9a-dihydropyrano[3,2-g]chromen-6-amine?
The InChIKey is YRUNLIABNJRLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-10-3-5-15-12-7-11-8(6-9(10)12)2-1-4-14-11/h1-4,6-7,12H,5,13H2.
What are the key properties of 8,9a-dihydropyrano[3,2-g]chromen-6-amine?
8,9a-dihydropyrano[3,2-g]chromen-6-amine has a molecular weight of 201.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9a-dihydropyrano[3,2-g]chromen-6-amine is sourced from PubChem (CID 18678003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).