3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol

C14H17NO2 — CID 166892632

IUPAC3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
SMILESC=C(c1ccc2ccoc2c1)C(CO)NCC
InChIInChI=1S/C14H17NO2/c1-3-15-13(9-16)10(2)12-5-4-11-6-7-17-14(11)8-12/h4-8,13,15-16H,2-3,9H2,1H3
InChIKeyAHJZKLGRDHFXEZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.42
Rot. Bonds5

About 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol

3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol (PubChem CID 166892632) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
PubChem CID166892632
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
SMILESC=C(c1ccc2ccoc2c1)C(CO)NCC
InChIInChI=1S/C14H17NO2/c1-3-15-13(9-16)10(2)12-5-4-11-6-7-17-14(11)8-12/h4-8,13,15-16H,2-3,9H2,1H3
InChIKeyAHJZKLGRDHFXEZ-UHFFFAOYSA-N
XLogP2.42
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol?
The IUPAC name of 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol (CID 166892632) is 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol.
What is the SMILES notation for 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol?
The canonical SMILES for 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol is C=C(c1ccc2ccoc2c1)C(CO)NCC.
What is the InChIKey of 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol?
The InChIKey is AHJZKLGRDHFXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-15-13(9-16)10(2)12-5-4-11-6-7-17-14(11)8-12/h4-8,13,15-16H,2-3,9H2,1H3.
What are the key properties of 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol?
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol has a molecular weight of 231.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol is sourced from PubChem (CID 166892632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).