2-cyclohexylidene-4,4-dimethyl-3H-pyrrole

C12H19N — CID 101003710

IUPAC2-cyclohexylidene-4,4-dimethyl-3H-pyrrole
SMILESCC1(C)C=NC(=C2CCCCC2)C1
InChIInChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyBFTKJOVKMVPYAU-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.71
Rot. Bonds

About 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole

2-cyclohexylidene-4,4-dimethyl-3H-pyrrole (PubChem CID 101003710) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2-cyclohexylidene-4,4-dimethyl-3H-pyrrole
PubChem CID101003710
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-cyclohexylidene-4,4-dimethyl-3H-pyrrole
SMILESCC1(C)C=NC(=C2CCCCC2)C1
InChIInChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyBFTKJOVKMVPYAU-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole?
The IUPAC name of 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole (CID 101003710) is 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole.
What is the SMILES notation for 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole?
The canonical SMILES for 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole is CC1(C)C=NC(=C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole?
The InChIKey is BFTKJOVKMVPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole?
2-cyclohexylidene-4,4-dimethyl-3H-pyrrole has a molecular weight of 177.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-4,4-dimethyl-3H-pyrrole is sourced from PubChem (CID 101003710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).