2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole

C10H15N — CID 129019054

IUPAC2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole
SMILESCC(C)=CC1=C(C)CC(C)=N1
InChIInChI=1S/C10H15N/c1-7(2)5-10-8(3)6-9(4)11-10/h5H,6H2,1-4H3
InChIKeyNGTJIQSABYEEQL-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds1

About 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole

2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole (PubChem CID 129019054) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole
PubChem CID129019054
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole
SMILESCC(C)=CC1=C(C)CC(C)=N1
InChIInChI=1S/C10H15N/c1-7(2)5-10-8(3)6-9(4)11-10/h5H,6H2,1-4H3
InChIKeyNGTJIQSABYEEQL-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole?
The IUPAC name of 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole (CID 129019054) is 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole?
The canonical SMILES for 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole is CC(C)=CC1=C(C)CC(C)=N1.
What is the InChIKey of 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole?
The InChIKey is NGTJIQSABYEEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)5-10-8(3)6-9(4)11-10/h5H,6H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole?
2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylprop-1-enyl)-3H-pyrrole is sourced from PubChem (CID 129019054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).