1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one

C8H11N2OP — CID 118148791

IUPAC1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one
SMILES[1H]/N=P/C1(CC#C)CCN(C)C1=O
InChIInChI=1S/C8H11N2OP/c1-3-4-8(12-9)5-6-10(2)7(8)11/h1,9H,4-6H2,2H3/i/hH
InChIKeyHRFYIGWZHBNLCI-FTGQXOHASA-N
MW182.16 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one

1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one (PubChem CID 118148791) has the molecular formula C8H11N2OP and a molecular weight of 182.16 g/mol. Its IUPAC name is 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one
PubChem CID118148791
Molecular FormulaC8H11N2OP
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one
SMILES[1H]/N=P/C1(CC#C)CCN(C)C1=O
InChIInChI=1S/C8H11N2OP/c1-3-4-8(12-9)5-6-10(2)7(8)11/h1,9H,4-6H2,2H3/i/hH
InChIKeyHRFYIGWZHBNLCI-FTGQXOHASA-N
XLogP1.32
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one (CID 118148791) is 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one is [1H]/N=P/C1(CC#C)CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one?
The InChIKey is HRFYIGWZHBNLCI-FTGQXOHASA-N. The full InChI is InChI=1S/C8H11N2OP/c1-3-4-8(12-9)5-6-10(2)7(8)11/h1,9H,4-6H2,2H3/i/hH.
What are the key properties of 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one?
1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one has a molecular weight of 182.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-ynyl-3-protioiminophosphanylpyrrolidin-2-one is sourced from PubChem (CID 118148791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).