cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane

C9H16NOP — CID 91117857

IUPACcyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane
SMILESC1=CCC=C1.CCOP.[C-]#[N+]C
InChIInChI=1S/C5H6.C2H3N.C2H7OP/c1-2-4-5-3-1;1-3-2;1-2-3-4/h1-4H,5H2;1H3;2,4H2,1H3
InChIKeyBOAHXZYKLTYFLX-UHFFFAOYSA-N
MW185.21 g/mol
LogP2.85
Rot. Bonds1

About cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane

cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane (PubChem CID 91117857) has the molecular formula C9H16NOP and a molecular weight of 185.21 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane
PubChem CID91117857
Molecular FormulaC9H16NOP
Molecular Weight185.21 g/mol
Exact Mass185.10
IUPAC Namecyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane
SMILESC1=CCC=C1.CCOP.[C-]#[N+]C
InChIInChI=1S/C5H6.C2H3N.C2H7OP/c1-2-4-5-3-1;1-3-2;1-2-3-4/h1-4H,5H2;1H3;2,4H2,1H3
InChIKeyBOAHXZYKLTYFLX-UHFFFAOYSA-N
XLogP2.85
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-1,3-diene;ethane;ethoxyphosphane
CID 91217113

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane?
The IUPAC name of cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane (CID 91117857) is cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane.
What is the SMILES notation for cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane?
The canonical SMILES for cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane is C1=CCC=C1.CCOP.[C-]#[N+]C.
What is the InChIKey of cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane?
The InChIKey is BOAHXZYKLTYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H3N.C2H7OP/c1-2-4-5-3-1;1-3-2;1-2-3-4/h1-4H,5H2;1H3;2,4H2,1H3.
What are the key properties of cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane?
cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane has a molecular weight of 185.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane is sourced from PubChem (CID 91117857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).