3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol

C12H15NO2 — CID 62416499

IUPAC3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NC1CCC1
InChIInChI=1S/C12H15NO2/c14-9-4-5-10-11(7-15-12(10)6-9)13-8-2-1-3-8/h4-6,8,11,13-14H,1-3,7H2
InChIKeyHURJNMWEZKISAV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.97
Rot. Bonds2

About 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 62416499) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID62416499
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NC1CCC1
InChIInChI=1S/C12H15NO2/c14-9-4-5-10-11(7-15-12(10)6-9)13-8-2-1-3-8/h4-6,8,11,13-14H,1-3,7H2
InChIKeyHURJNMWEZKISAV-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 62416499) is 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NC1CCC1.
What is the InChIKey of 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is HURJNMWEZKISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-4-5-10-11(7-15-12(10)6-9)13-8-2-1-3-8/h4-6,8,11,13-14H,1-3,7H2.
What are the key properties of 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 205.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 62416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).