2-(dipropoxyphosphorylmethyl)-5-nitrofuran

C11H18NO6P — CID 71392787

IUPAC2-(dipropoxyphosphorylmethyl)-5-nitrofuran
SMILESCCCOP(=O)(Cc1ccc([N+](=O)[O-])o1)OCCC
InChIInChI=1S/C11H18NO6P/c1-3-7-16-19(15,17-8-4-2)9-10-5-6-11(18-10)12(13)14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyZLCBANRIISUIDR-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.73
Rot. Bonds9

About 2-(dipropoxyphosphorylmethyl)-5-nitrofuran

2-(dipropoxyphosphorylmethyl)-5-nitrofuran (PubChem CID 71392787) has the molecular formula C11H18NO6P and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-(dipropoxyphosphorylmethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(dipropoxyphosphorylmethyl)-5-nitrofuran
PubChem CID71392787
Molecular FormulaC11H18NO6P
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name2-(dipropoxyphosphorylmethyl)-5-nitrofuran
SMILESCCCOP(=O)(Cc1ccc([N+](=O)[O-])o1)OCCC
InChIInChI=1S/C11H18NO6P/c1-3-7-16-19(15,17-8-4-2)9-10-5-6-11(18-10)12(13)14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyZLCBANRIISUIDR-UHFFFAOYSA-N
XLogP3.73
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-5-[[(5-nitrofuran-2-yl)methoxy-propan-2-ylphosphoryl]oxymethyl]furan
CID 129013384
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
(5-nitrofuran-2-yl)methanamine
CID 13211642
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
CID 114210444
1-[ethyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 23274934
4-methoxy-N-[(5-nitrofuran-2-yl)methyl]butan-2-amine
CID 63378653
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
trimethyl-[(5-nitrofuran-2-yl)methyl]azanium;hydrobromide
CID 126957165
2-(2-methylhexyl)-5-nitrofuran
CID 126555435
1-ethyl-3-[(5-nitrofuran-2-yl)methyl]imidazol-2-one
CID 116624377

Frequently Asked Questions

What is the IUPAC name of 2-(dipropoxyphosphorylmethyl)-5-nitrofuran?
The IUPAC name of 2-(dipropoxyphosphorylmethyl)-5-nitrofuran (CID 71392787) is 2-(dipropoxyphosphorylmethyl)-5-nitrofuran.
What is the SMILES notation for 2-(dipropoxyphosphorylmethyl)-5-nitrofuran?
The canonical SMILES for 2-(dipropoxyphosphorylmethyl)-5-nitrofuran is CCCOP(=O)(Cc1ccc([N+](=O)[O-])o1)OCCC.
What is the InChIKey of 2-(dipropoxyphosphorylmethyl)-5-nitrofuran?
The InChIKey is ZLCBANRIISUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO6P/c1-3-7-16-19(15,17-8-4-2)9-10-5-6-11(18-10)12(13)14/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(dipropoxyphosphorylmethyl)-5-nitrofuran?
2-(dipropoxyphosphorylmethyl)-5-nitrofuran has a molecular weight of 291.24 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropoxyphosphorylmethyl)-5-nitrofuran is sourced from PubChem (CID 71392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).