N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide

C11H14N2O4 — CID 21116929

IUPACN-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
SMILESC=C(C(=O)NCC(C)C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c1-7(2)6-12-11(14)8(3)9-4-5-10(17-9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyRSSVDBUMLXQXDS-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.97
Rot. Bonds5

About N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide

N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 21116929) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID21116929
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
SMILESC=C(C(=O)NCC(C)C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c1-7(2)6-12-11(14)8(3)9-4-5-10(17-9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyRSSVDBUMLXQXDS-UHFFFAOYSA-N
XLogP1.97
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
CID 107157274
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
1-methyl-3-[2-(5-nitrofuran-2-yl)-2-oxoethyl]urea
CID 59095697
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
butan-2-yl 5-nitrofuran-2-carboxylate
CID 5176362
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
trimethyl-[1-(5-nitrofuran-2-yl)ethenyl]azanium
CID 88768662

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide (CID 21116929) is N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide is C=C(C(=O)NCC(C)C)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is RSSVDBUMLXQXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(2)6-12-11(14)8(3)9-4-5-10(17-9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14).
What are the key properties of N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide?
N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 238.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 21116929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).