3-(1-benzofuran-3-ylmethyl)azetidine

C12H13NO — CID 80700831

IUPAC3-(1-benzofuran-3-ylmethyl)azetidine
SMILESc1ccc2c(CC3CNC3)coc2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-11(3-1)10(8-14-12)5-9-6-13-7-9/h1-4,8-9,13H,5-7H2
InChIKeyXXUYOPNPSOPVDU-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.19
Rot. Bonds2

About 3-(1-benzofuran-3-ylmethyl)azetidine

3-(1-benzofuran-3-ylmethyl)azetidine (PubChem CID 80700831) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(1-benzofuran-3-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(1-benzofuran-3-ylmethyl)azetidine
PubChem CID80700831
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-(1-benzofuran-3-ylmethyl)azetidine
SMILESc1ccc2c(CC3CNC3)coc2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-11(3-1)10(8-14-12)5-9-6-13-7-9/h1-4,8-9,13H,5-7H2
InChIKeyXXUYOPNPSOPVDU-UHFFFAOYSA-N
XLogP2.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
2-(azetidin-3-ylmethyl)phenol;hydrochloride
CID 170913706
azetidin-3-yl(1-benzofuran-3-yl)methanamine
CID 116935405
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-ylmethyl)azetidine?
The IUPAC name of 3-(1-benzofuran-3-ylmethyl)azetidine (CID 80700831) is 3-(1-benzofuran-3-ylmethyl)azetidine.
What is the SMILES notation for 3-(1-benzofuran-3-ylmethyl)azetidine?
The canonical SMILES for 3-(1-benzofuran-3-ylmethyl)azetidine is c1ccc2c(CC3CNC3)coc2c1.
What is the InChIKey of 3-(1-benzofuran-3-ylmethyl)azetidine?
The InChIKey is XXUYOPNPSOPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-4-12-11(3-1)10(8-14-12)5-9-6-13-7-9/h1-4,8-9,13H,5-7H2.
What are the key properties of 3-(1-benzofuran-3-ylmethyl)azetidine?
3-(1-benzofuran-3-ylmethyl)azetidine has a molecular weight of 187.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-ylmethyl)azetidine is sourced from PubChem (CID 80700831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).