[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone

C14H15NO2 — CID 114737161

IUPAC[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3ccccc3o2)CCC1
InChIInChI=1S/C14H15NO2/c15-9-14(6-3-7-14)13(16)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8H,3,6-7,9,15H2
InChIKeyWJMNKNAAMRCKMW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.74
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone

[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone (PubChem CID 114737161) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
PubChem CID114737161
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3ccccc3o2)CCC1
InChIInChI=1S/C14H15NO2/c15-9-14(6-3-7-14)13(16)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8H,3,6-7,9,15H2
InChIKeyWJMNKNAAMRCKMW-UHFFFAOYSA-N
XLogP2.74
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
CID 114736555
1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
CID 114736543
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-adamantyl(1-benzofuran-2-yl)methanone
CID 11630537
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone (CID 114737161) is [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone is NCC1(C(=O)c2cc3ccccc3o2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone?
The InChIKey is WJMNKNAAMRCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-9-14(6-3-7-14)13(16)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8H,3,6-7,9,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).