3a,7a-dihydro-1-benzofuran-6-amine

C8H9NO — CID 112711830

IUPAC3a,7a-dihydro-1-benzofuran-6-amine
SMILESNC1=CC2OC=CC2C=C1
InChIInChI=1S/C8H9NO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8H,9H2
InChIKeyUALWXPYGVKDHBR-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.93
Rot. Bonds

About 3a,7a-dihydro-1-benzofuran-6-amine

3a,7a-dihydro-1-benzofuran-6-amine (PubChem CID 112711830) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3a,7a-dihydro-1-benzofuran-6-amine.

Molecular Properties

Compound Name3a,7a-dihydro-1-benzofuran-6-amine
PubChem CID112711830
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3a,7a-dihydro-1-benzofuran-6-amine
SMILESNC1=CC2OC=CC2C=C1
InChIInChI=1S/C8H9NO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8H,9H2
InChIKeyUALWXPYGVKDHBR-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1-benzofuran-6-amine?
The IUPAC name of 3a,7a-dihydro-1-benzofuran-6-amine (CID 112711830) is 3a,7a-dihydro-1-benzofuran-6-amine.
What is the SMILES notation for 3a,7a-dihydro-1-benzofuran-6-amine?
The canonical SMILES for 3a,7a-dihydro-1-benzofuran-6-amine is NC1=CC2OC=CC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1-benzofuran-6-amine?
The InChIKey is UALWXPYGVKDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8H,9H2.
What are the key properties of 3a,7a-dihydro-1-benzofuran-6-amine?
3a,7a-dihydro-1-benzofuran-6-amine has a molecular weight of 135.17 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1-benzofuran-6-amine is sourced from PubChem (CID 112711830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).