1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide

C10H16O2P2 — CID 101039678

IUPAC1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(CCP2(=O)CC=CC2)CC=CC1
InChIInChI=1S/C10H16O2P2/c11-13(5-1-2-6-13)9-10-14(12)7-3-4-8-14/h1-4H,5-10H2
InChIKeyVVICBVDETJGEKB-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.85
Rot. Bonds3

About 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide

1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 101039678) has the molecular formula C10H16O2P2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID101039678
Molecular FormulaC10H16O2P2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(CCP2(=O)CC=CC2)CC=CC1
InChIInChI=1S/C10H16O2P2/c11-13(5-1-2-6-13)9-10-14(12)7-3-4-8-14/h1-4H,5-10H2
InChIKeyVVICBVDETJGEKB-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide (CID 101039678) is 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide is O=P1(CCP2(=O)CC=CC2)CC=CC1.
What is the InChIKey of 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is VVICBVDETJGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2P2/c11-13(5-1-2-6-13)9-10-14(12)7-3-4-8-14/h1-4H,5-10H2.
What are the key properties of 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide?
1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 230.18 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-oxo-2,5-dihydro-1λ5-phosphol-1-yl)ethyl]-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 101039678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).