2-butan-2-yl-5-methyl-3H-pyrrole

C9H15N — CID 89296016

IUPAC2-butan-2-yl-5-methyl-3H-pyrrole
SMILESCCC(C)C1=NC(C)=CC1
InChIInChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5,7H,4,6H2,1-3H3
InChIKeyDNLQNAFVYUYUEO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds2

About 2-butan-2-yl-5-methyl-3H-pyrrole

2-butan-2-yl-5-methyl-3H-pyrrole (PubChem CID 89296016) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-3H-pyrrole.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-3H-pyrrole
PubChem CID89296016
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-butan-2-yl-5-methyl-3H-pyrrole
SMILESCCC(C)C1=NC(C)=CC1
InChIInChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5,7H,4,6H2,1-3H3
InChIKeyDNLQNAFVYUYUEO-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-3H-pyrrole?
The IUPAC name of 2-butan-2-yl-5-methyl-3H-pyrrole (CID 89296016) is 2-butan-2-yl-5-methyl-3H-pyrrole.
What is the SMILES notation for 2-butan-2-yl-5-methyl-3H-pyrrole?
The canonical SMILES for 2-butan-2-yl-5-methyl-3H-pyrrole is CCC(C)C1=NC(C)=CC1.
What is the InChIKey of 2-butan-2-yl-5-methyl-3H-pyrrole?
The InChIKey is DNLQNAFVYUYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methyl-3H-pyrrole?
2-butan-2-yl-5-methyl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-3H-pyrrole is sourced from PubChem (CID 89296016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).