(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine

C8H11NO — CID 155402728

IUPAC(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine
SMILESNC1CC2=CC=CC[C@H]2O1
InChIInChI=1S/C8H11NO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-3,7-8H,4-5,9H2/t7-,8?/m1/s1
InChIKeyNBQHRWGTNZZTLT-GVHYBUMESA-N
MW137.18 g/mol
LogP0.95
Rot. Bonds

About (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine

(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine (PubChem CID 155402728) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine
PubChem CID155402728
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine
SMILESNC1CC2=CC=CC[C@H]2O1
InChIInChI=1S/C8H11NO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-3,7-8H,4-5,9H2/t7-,8?/m1/s1
InChIKeyNBQHRWGTNZZTLT-GVHYBUMESA-N
XLogP0.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine?
The IUPAC name of (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine (CID 155402728) is (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine.
What is the SMILES notation for (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine?
The canonical SMILES for (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine is NC1CC2=CC=CC[C@H]2O1.
What is the InChIKey of (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine?
The InChIKey is NBQHRWGTNZZTLT-GVHYBUMESA-N. The full InChI is InChI=1S/C8H11NO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-3,7-8H,4-5,9H2/t7-,8?/m1/s1.
What are the key properties of (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine?
(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine has a molecular weight of 137.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine is sourced from PubChem (CID 155402728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).