1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine

C9H18NO3P — CID 59127622

IUPAC1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine
SMILESC=CC1CC1(N)P(=O)(OCC)OCC
InChIInChI=1S/C9H18NO3P/c1-4-8-7-9(8,10)14(11,12-5-2)13-6-3/h4,8H,1,5-7,10H2,2-3H3
InChIKeyPYAPLGZAWBFCRA-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.11
Rot. Bonds6

About 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine

1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine (PubChem CID 59127622) has the molecular formula C9H18NO3P and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine
PubChem CID59127622
Molecular FormulaC9H18NO3P
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Name1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine
SMILESC=CC1CC1(N)P(=O)(OCC)OCC
InChIInChI=1S/C9H18NO3P/c1-4-8-7-9(8,10)14(11,12-5-2)13-6-3/h4,8H,1,5-7,10H2,2-3H3
InChIKeyPYAPLGZAWBFCRA-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine?
The IUPAC name of 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine (CID 59127622) is 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine.
What is the SMILES notation for 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine?
The canonical SMILES for 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine is C=CC1CC1(N)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine?
The InChIKey is PYAPLGZAWBFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3P/c1-4-8-7-9(8,10)14(11,12-5-2)13-6-3/h4,8H,1,5-7,10H2,2-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine?
1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine has a molecular weight of 219.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine is sourced from PubChem (CID 59127622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).