2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole

C12H19NO — CID 114469610

IUPAC2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole
SMILESC=C(C)COCCn1c(C)ccc1C
InChIInChI=1S/C12H19NO/c1-10(2)9-14-8-7-13-11(3)5-6-12(13)4/h5-6H,1,7-9H2,2-4H3
InChIKeyYKGCFZJQYVDZES-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds5

About 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole

2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole (PubChem CID 114469610) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole
PubChem CID114469610
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole
SMILESC=C(C)COCCn1c(C)ccc1C
InChIInChI=1S/C12H19NO/c1-10(2)9-14-8-7-13-11(3)5-6-12(13)4/h5-6H,1,7-9H2,2-4H3
InChIKeyYKGCFZJQYVDZES-UHFFFAOYSA-N
XLogP2.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole?
The IUPAC name of 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole (CID 114469610) is 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole?
The canonical SMILES for 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole is C=C(C)COCCn1c(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole?
The InChIKey is YKGCFZJQYVDZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)9-14-8-7-13-11(3)5-6-12(13)4/h5-6H,1,7-9H2,2-4H3.
What are the key properties of 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole?
2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole has a molecular weight of 193.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrole is sourced from PubChem (CID 114469610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).