[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone

C10H12BrNO2 — CID 116600348

IUPAC[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone
SMILESNCC1(C(=O)c2occc2Br)CCC1
InChIInChI=1S/C10H12BrNO2/c11-7-2-5-14-8(7)9(13)10(6-12)3-1-4-10/h2,5H,1,3-4,6,12H2
InChIKeyYWVUIOXQKSHELF-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.35
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone

[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone (PubChem CID 116600348) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone
PubChem CID116600348
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone
SMILESNCC1(C(=O)c2occc2Br)CCC1
InChIInChI=1S/C10H12BrNO2/c11-7-2-5-14-8(7)9(13)10(6-12)3-1-4-10/h2,5H,1,3-4,6,12H2
InChIKeyYWVUIOXQKSHELF-UHFFFAOYSA-N
XLogP2.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone (CID 116600348) is [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone is NCC1(C(=O)c2occc2Br)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone?
The InChIKey is YWVUIOXQKSHELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-2-5-14-8(7)9(13)10(6-12)3-1-4-10/h2,5H,1,3-4,6,12H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone is sourced from PubChem (CID 116600348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).