(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone

C12H12N2O2 — CID 63755277

IUPAC(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
SMILESNC1CN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C12H12N2O2/c13-9-6-14(7-9)12(15)11-5-8-3-1-2-4-10(8)16-11/h1-5,9H,6-7,13H2
InChIKeyLIBFPHUCRHFDNY-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.22
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone

(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone (PubChem CID 63755277) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
PubChem CID63755277
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
SMILESNC1CN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C12H12N2O2/c13-9-6-14(7-9)12(15)11-5-8-3-1-2-4-10(8)16-11/h1-5,9H,6-7,13H2
InChIKeyLIBFPHUCRHFDNY-UHFFFAOYSA-N
XLogP1.22
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
(3aR,7aS)-2-[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989212
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249981

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone (CID 63755277) is (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone is NC1CN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone?
The InChIKey is LIBFPHUCRHFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-9-6-14(7-9)12(15)11-5-8-3-1-2-4-10(8)16-11/h1-5,9H,6-7,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone?
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 63755277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).