2-(2-nitropropyl)furan

C7H9NO3 — CID 14929135

IUPAC2-(2-nitropropyl)furan
SMILESCC(Cc1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H9NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyLWDRHEZLLXUWNE-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-nitropropyl)furan

2-(2-nitropropyl)furan (PubChem CID 14929135) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(2-nitropropyl)furan.

Molecular Properties

Compound Name2-(2-nitropropyl)furan
PubChem CID14929135
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(2-nitropropyl)furan
SMILESCC(Cc1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H9NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyLWDRHEZLLXUWNE-UHFFFAOYSA-N
XLogP1.49
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-(2-ethylbutyl)furan
CID 68844643
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
N-[(4-bromo-2-nitrophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 114381134
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
N-[(4-chloro-3-nitrophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 115280686
3-bromo-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridin-4-amine
CID 103519288
N-[(5-chloro-2-nitrophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 79582520
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitropropyl)furan?
The IUPAC name of 2-(2-nitropropyl)furan (CID 14929135) is 2-(2-nitropropyl)furan.
What is the SMILES notation for 2-(2-nitropropyl)furan?
The canonical SMILES for 2-(2-nitropropyl)furan is CC(Cc1ccco1)[N+](=O)[O-].
What is the InChIKey of 2-(2-nitropropyl)furan?
The InChIKey is LWDRHEZLLXUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2-nitropropyl)furan?
2-(2-nitropropyl)furan has a molecular weight of 155.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitropropyl)furan is sourced from PubChem (CID 14929135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).