1,2-dimethylpyrrole;ethane;isocyanomethane

C10H18N2 — CID 91557342

IUPAC1,2-dimethylpyrrole;ethane;isocyanomethane
SMILESCC.Cc1cccn1C.[C-]#[N+]C
InChIInChI=1S/C6H9N.C2H3N.C2H6/c1-6-4-3-5-7(6)2;1-3-2;1-2/h3-5H,1-2H3;1H3;1-2H3
InChIKeyQOEUFAQKJBZKME-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.90
Rot. Bonds

About 1,2-dimethylpyrrole;ethane;isocyanomethane

1,2-dimethylpyrrole;ethane;isocyanomethane (PubChem CID 91557342) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;ethane;isocyanomethane.

Molecular Properties

Compound Name1,2-dimethylpyrrole;ethane;isocyanomethane
PubChem CID91557342
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2-dimethylpyrrole;ethane;isocyanomethane
SMILESCC.Cc1cccn1C.[C-]#[N+]C
InChIInChI=1S/C6H9N.C2H3N.C2H6/c1-6-4-3-5-7(6)2;1-3-2;1-2/h3-5H,1-2H3;1H3;1-2H3
InChIKeyQOEUFAQKJBZKME-UHFFFAOYSA-N
XLogP2.90
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;ethane;isocyanomethane?
The IUPAC name of 1,2-dimethylpyrrole;ethane;isocyanomethane (CID 91557342) is 1,2-dimethylpyrrole;ethane;isocyanomethane.
What is the SMILES notation for 1,2-dimethylpyrrole;ethane;isocyanomethane?
The canonical SMILES for 1,2-dimethylpyrrole;ethane;isocyanomethane is CC.Cc1cccn1C.[C-]#[N+]C.
What is the InChIKey of 1,2-dimethylpyrrole;ethane;isocyanomethane?
The InChIKey is QOEUFAQKJBZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H3N.C2H6/c1-6-4-3-5-7(6)2;1-3-2;1-2/h3-5H,1-2H3;1H3;1-2H3.
What are the key properties of 1,2-dimethylpyrrole;ethane;isocyanomethane?
1,2-dimethylpyrrole;ethane;isocyanomethane has a molecular weight of 166.27 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;ethane;isocyanomethane is sourced from PubChem (CID 91557342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).