4,5-dimethyl-4-phenyl-2,3-dihydropyrrole

C12H15N — CID 15638958

IUPAC4,5-dimethyl-4-phenyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)c1ccccc1
InChIInChI=1S/C12H15N/c1-10-12(2,8-9-13-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeySSNXNKKCFONJOA-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.81
Rot. Bonds1

About 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole

4,5-dimethyl-4-phenyl-2,3-dihydropyrrole (PubChem CID 15638958) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,5-dimethyl-4-phenyl-2,3-dihydropyrrole
PubChem CID15638958
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,5-dimethyl-4-phenyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)c1ccccc1
InChIInChI=1S/C12H15N/c1-10-12(2,8-9-13-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeySSNXNKKCFONJOA-UHFFFAOYSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.81
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 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole?
The IUPAC name of 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole (CID 15638958) is 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole.
What is the SMILES notation for 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole?
The canonical SMILES for 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole is CC1=NCCC1(C)c1ccccc1.
What is the InChIKey of 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole?
The InChIKey is SSNXNKKCFONJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-12(2,8-9-13-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole?
4,5-dimethyl-4-phenyl-2,3-dihydropyrrole has a molecular weight of 173.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4-phenyl-2,3-dihydropyrrole is sourced from PubChem (CID 15638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).