1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one

C11H15OP — CID 102491201

IUPAC1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one
SMILESC=C1C(C)=C(C)C2(C)PC(=O)C12C
InChIInChI=1S/C11H15OP/c1-6-7(2)10(4)9(12)13-11(10,5)8(6)3/h13H,2H2,1,3-5H3
InChIKeyIXQVZQPOWYYITD-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.88
Rot. Bonds

About 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one

1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one (PubChem CID 102491201) has the molecular formula C11H15OP and a molecular weight of 194.21 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one
PubChem CID102491201
Molecular FormulaC11H15OP
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one
SMILESC=C1C(C)=C(C)C2(C)PC(=O)C12C
InChIInChI=1S/C11H15OP/c1-6-7(2)10(4)9(12)13-11(10,5)8(6)3/h13H,2H2,1,3-5H3
InChIKeyIXQVZQPOWYYITD-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5-tetramethyl-4-methylidene-6-phosphabicyclo[3.2.0]hept-2-en-7-one
CID 102491200
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CID 11094732
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
2,3,5-trimethyl-4-methylidene-5-prop-1-en-2-ylcyclopent-2-en-1-one
CID 71437989
4,4,5,5,6,6-hexamethylcyclohexane-1,2,3-trione
CID 140639927
4,5,6,6-tetramethylcyclohexa-2,4-dien-1-one
CID 21015441
3-hydroxy-2,6,6-trimethyl-4-methylidenecyclohex-2-en-1-one
CID 18320262
1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
CID 58944323
1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 173085292

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one?
The IUPAC name of 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one (CID 102491201) is 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one.
What is the SMILES notation for 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one?
The canonical SMILES for 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one is C=C1C(C)=C(C)C2(C)PC(=O)C12C.
What is the InChIKey of 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one?
The InChIKey is IXQVZQPOWYYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15OP/c1-6-7(2)10(4)9(12)13-11(10,5)8(6)3/h13H,2H2,1,3-5H3.
What are the key properties of 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one?
1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one has a molecular weight of 194.21 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-2-methylidene-6-phosphabicyclo[3.2.0]hept-3-en-7-one is sourced from PubChem (CID 102491201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).