1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide

C8H14NO2P — CID 88520374

IUPAC1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide
SMILESC=CCN(CC1CO1)C(=O)PC
InChIInChI=1S/C8H14NO2P/c1-3-4-9(8(10)12-2)5-7-6-11-7/h3,7,12H,1,4-6H2,2H3
InChIKeyOGHVFVPFWLUXRM-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.30
Rot. Bonds5

About 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide

1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide (PubChem CID 88520374) has the molecular formula C8H14NO2P and a molecular weight of 187.18 g/mol. Its IUPAC name is 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide.

Molecular Properties

Compound Name1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide
PubChem CID88520374
Molecular FormulaC8H14NO2P
Molecular Weight187.18 g/mol
Exact Mass187.08
IUPAC Name1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide
SMILESC=CCN(CC1CO1)C(=O)PC
InChIInChI=1S/C8H14NO2P/c1-3-4-9(8(10)12-2)5-7-6-11-7/h3,7,12H,1,4-6H2,2H3
InChIKeyOGHVFVPFWLUXRM-UHFFFAOYSA-N
XLogP1.30
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide?
The IUPAC name of 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide (CID 88520374) is 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide.
What is the SMILES notation for 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide?
The canonical SMILES for 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide is C=CCN(CC1CO1)C(=O)PC.
What is the InChIKey of 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide?
The InChIKey is OGHVFVPFWLUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2P/c1-3-4-9(8(10)12-2)5-7-6-11-7/h3,7,12H,1,4-6H2,2H3.
What are the key properties of 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide?
1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide has a molecular weight of 187.18 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphosphanyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylformamide is sourced from PubChem (CID 88520374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).