N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide

C9H10BrNO2 — CID 114821704

IUPACN-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
SMILESC=C(Br)CNC(=O)c1coc(C)c1
InChIInChI=1S/C9H10BrNO2/c1-6(10)4-11-9(12)8-3-7(2)13-5-8/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeySCAWTFGPQREOBT-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.23
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide

N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide (PubChem CID 114821704) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
PubChem CID114821704
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
SMILESC=C(Br)CNC(=O)c1coc(C)c1
InChIInChI=1S/C9H10BrNO2/c1-6(10)4-11-9(12)8-3-7(2)13-5-8/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeySCAWTFGPQREOBT-UHFFFAOYSA-N
XLogP2.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-[[4-(bromomethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233651
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
5-methyl-N-pent-3-ynylfuran-3-carboxamide
CID 114822799

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide (CID 114821704) is N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide is C=C(Br)CNC(=O)c1coc(C)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide?
The InChIKey is SCAWTFGPQREOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6(10)4-11-9(12)8-3-7(2)13-5-8/h3,5H,1,4H2,2H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide?
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide has a molecular weight of 244.09 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).