3a,7a-dihydro-1-benzofuran-4,7-diamine

C8H10N2O — CID 129147829

IUPAC3a,7a-dihydro-1-benzofuran-4,7-diamine
SMILESNC1=CC=C(N)C2OC=CC12
InChIInChI=1S/C8H10N2O/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-5,8H,9-10H2
InChIKeyMVAWWIPBMMPESQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.21
Rot. Bonds

About 3a,7a-dihydro-1-benzofuran-4,7-diamine

3a,7a-dihydro-1-benzofuran-4,7-diamine (PubChem CID 129147829) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3a,7a-dihydro-1-benzofuran-4,7-diamine.

Molecular Properties

Compound Name3a,7a-dihydro-1-benzofuran-4,7-diamine
PubChem CID129147829
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3a,7a-dihydro-1-benzofuran-4,7-diamine
SMILESNC1=CC=C(N)C2OC=CC12
InChIInChI=1S/C8H10N2O/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-5,8H,9-10H2
InChIKeyMVAWWIPBMMPESQ-UHFFFAOYSA-N
XLogP0.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1-benzofuran-4,7-diamine?
The IUPAC name of 3a,7a-dihydro-1-benzofuran-4,7-diamine (CID 129147829) is 3a,7a-dihydro-1-benzofuran-4,7-diamine.
What is the SMILES notation for 3a,7a-dihydro-1-benzofuran-4,7-diamine?
The canonical SMILES for 3a,7a-dihydro-1-benzofuran-4,7-diamine is NC1=CC=C(N)C2OC=CC12.
What is the InChIKey of 3a,7a-dihydro-1-benzofuran-4,7-diamine?
The InChIKey is MVAWWIPBMMPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-5,8H,9-10H2.
What are the key properties of 3a,7a-dihydro-1-benzofuran-4,7-diamine?
3a,7a-dihydro-1-benzofuran-4,7-diamine has a molecular weight of 150.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1-benzofuran-4,7-diamine is sourced from PubChem (CID 129147829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).