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

C13H17NO3 — CID 83229034

IUPAC3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NOC1CCCC1
InChIInChI=1S/C13H17NO3/c15-9-5-6-11-12(8-16-13(11)7-9)14-17-10-3-1-2-4-10/h5-7,10,12,14-15H,1-4,8H2
InChIKeyQJTQFLRPNXMODO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.29
Rot. Bonds3

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

3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 83229034) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID83229034
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NOC1CCCC1
InChIInChI=1S/C13H17NO3/c15-9-5-6-11-12(8-16-13(11)7-9)14-17-10-3-1-2-4-10/h5-7,10,12,14-15H,1-4,8H2
InChIKeyQJTQFLRPNXMODO-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol (CID 83229034) is 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NOC1CCCC1.
What is the InChIKey of 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QJTQFLRPNXMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-5-6-11-12(8-16-13(11)7-9)14-17-10-3-1-2-4-10/h5-7,10,12,14-15H,1-4,8H2.
What are the key properties of 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 235.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 83229034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).