3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine

C10H14N2O3 — CID 79347381

IUPAC3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O3/c1-8(2)11-7-3-4-9-5-6-10(15-9)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKeyJFUQHGPPBIYTPC-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.20
Rot. Bonds5

About 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine

3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79347381) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID79347381
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O3/c1-8(2)11-7-3-4-9-5-6-10(15-9)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKeyJFUQHGPPBIYTPC-UHFFFAOYSA-N
XLogP2.20
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(5-nitrofuran-2-yl)-N-propylbut-3-en-2-amine
CID 103092876
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154
3-(4-nitrophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79346825
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 79347381) is 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NCC=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is JFUQHGPPBIYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(2)11-7-3-4-9-5-6-10(15-9)12(13)14/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79347381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).