(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene

C5H10NO5P — CID 23268531

IUPAC(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene
SMILESCOP(=O)(OC)/C(C)=C\[N+](=O)[O-]
InChIInChI=1S/C5H10NO5P/c1-5(4-6(7)8)12(9,10-2)11-3/h4H,1-3H3/b5-4-
InChIKeyKHXKTGUGACNNQW-PLNGDYQASA-N
MW195.11 g/mol
LogP1.61
Rot. Bonds4

About (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene

(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene (PubChem CID 23268531) has the molecular formula C5H10NO5P and a molecular weight of 195.11 g/mol. Its IUPAC name is (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene.

Molecular Properties

Compound Name(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene
PubChem CID23268531
Molecular FormulaC5H10NO5P
Molecular Weight195.11 g/mol
Exact Mass195.03
IUPAC Name(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene
SMILESCOP(=O)(OC)/C(C)=C\[N+](=O)[O-]
InChIInChI=1S/C5H10NO5P/c1-5(4-6(7)8)12(9,10-2)11-3/h4H,1-3H3/b5-4-
InChIKeyKHXKTGUGACNNQW-PLNGDYQASA-N
XLogP1.61
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene?
The IUPAC name of (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene (CID 23268531) is (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene.
What is the SMILES notation for (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene?
The canonical SMILES for (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene is COP(=O)(OC)/C(C)=C\[N+](=O)[O-].
What is the InChIKey of (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene?
The InChIKey is KHXKTGUGACNNQW-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10NO5P/c1-5(4-6(7)8)12(9,10-2)11-3/h4H,1-3H3/b5-4-.
What are the key properties of (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene?
(Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene has a molecular weight of 195.11 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-dimethoxyphosphoryl-1-nitroprop-1-ene is sourced from PubChem (CID 23268531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).