[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol

C9H12BrNO2 — CID 126977179

IUPAC[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Br)o2)CC1
InChIInChI=1S/C9H12BrNO2/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2,8,12H,3-5,11H2
InChIKeyXWMPIFMDEPJDHZ-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.81
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol

[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol (PubChem CID 126977179) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol
PubChem CID126977179
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Br)o2)CC1
InChIInChI=1S/C9H12BrNO2/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2,8,12H,3-5,11H2
InChIKeyXWMPIFMDEPJDHZ-UHFFFAOYSA-N
XLogP1.81
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol (CID 126977179) is [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol is NCC1(C(O)c2ccc(Br)o2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol?
The InChIKey is XWMPIFMDEPJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2,8,12H,3-5,11H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol?
[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol has a molecular weight of 246.10 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol is sourced from PubChem (CID 126977179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).