N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide

C11H13Br2NO3 — CID 12051735

IUPACN-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide
SMILESCCCC(NC(C)=O)C1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C11H13Br2NO3/c1-3-4-7(14-6(2)15)9-10(13)8(5-12)17-11(9)16/h5,7H,3-4H2,1-2H3,(H,14,15)/b8-5-
InChIKeyULAXLFWFXJWGAA-YVMONPNESA-N
MW367.04 g/mol
LogP2.73
Rot. Bonds4

About N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide

N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide (PubChem CID 12051735) has the molecular formula C11H13Br2NO3 and a molecular weight of 367.04 g/mol. Its IUPAC name is N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide
PubChem CID12051735
Molecular FormulaC11H13Br2NO3
Molecular Weight367.04 g/mol
Exact Mass364.93
IUPAC NameN-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide
SMILESCCCC(NC(C)=O)C1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C11H13Br2NO3/c1-3-4-7(14-6(2)15)9-10(13)8(5-12)17-11(9)16/h5,7H,3-4H2,1-2H3,(H,14,15)/b8-5-
InChIKeyULAXLFWFXJWGAA-YVMONPNESA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide?
The IUPAC name of N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide (CID 12051735) is N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide.
What is the SMILES notation for N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide?
The canonical SMILES for N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide is CCCC(NC(C)=O)C1=C(Br)/C(=C/Br)OC1=O.
What is the InChIKey of N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide?
The InChIKey is ULAXLFWFXJWGAA-YVMONPNESA-N. The full InChI is InChI=1S/C11H13Br2NO3/c1-3-4-7(14-6(2)15)9-10(13)8(5-12)17-11(9)16/h5,7H,3-4H2,1-2H3,(H,14,15)/b8-5-.
What are the key properties of N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide?
N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide has a molecular weight of 367.04 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5Z)-4-bromo-5-(bromomethylidene)-2-oxofuran-3-yl]butyl]acetamide is sourced from PubChem (CID 12051735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).