N-(alumanylmethyl)-2-bromoacetamide

C3H7AlBrNO — CID 154513936

IUPACN-(alumanylmethyl)-2-bromoacetamide
SMILESO=C(CBr)NC[AlH2]
InChIInChI=1S/C3H5BrNO.Al.2H/c1-5-3(6)2-4;;;/h1-2H2,(H,5,6);;;
InChIKeyWRMDTTVZZXYSRO-UHFFFAOYSA-N
MW179.98 g/mol
LogP-0.91
Rot. Bonds2

About N-(alumanylmethyl)-2-bromoacetamide

N-(alumanylmethyl)-2-bromoacetamide (PubChem CID 154513936) has the molecular formula C3H7AlBrNO and a molecular weight of 179.98 g/mol. Its IUPAC name is N-(alumanylmethyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(alumanylmethyl)-2-bromoacetamide
PubChem CID154513936
Molecular FormulaC3H7AlBrNO
Molecular Weight179.98 g/mol
Exact Mass178.95
IUPAC NameN-(alumanylmethyl)-2-bromoacetamide
SMILESO=C(CBr)NC[AlH2]
InChIInChI=1S/C3H5BrNO.Al.2H/c1-5-3(6)2-4;;;/h1-2H2,(H,5,6);;;
InChIKeyWRMDTTVZZXYSRO-UHFFFAOYSA-N
XLogP-0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.98
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(alumanylmethyl)-2-bromoacetamide?
The IUPAC name of N-(alumanylmethyl)-2-bromoacetamide (CID 154513936) is N-(alumanylmethyl)-2-bromoacetamide.
What is the SMILES notation for N-(alumanylmethyl)-2-bromoacetamide?
The canonical SMILES for N-(alumanylmethyl)-2-bromoacetamide is O=C(CBr)NC[AlH2].
What is the InChIKey of N-(alumanylmethyl)-2-bromoacetamide?
The InChIKey is WRMDTTVZZXYSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrNO.Al.2H/c1-5-3(6)2-4;;;/h1-2H2,(H,5,6);;;.
What are the key properties of N-(alumanylmethyl)-2-bromoacetamide?
N-(alumanylmethyl)-2-bromoacetamide has a molecular weight of 179.98 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(alumanylmethyl)-2-bromoacetamide is sourced from PubChem (CID 154513936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).