4,5-dimethyl-2-propan-2-yl-3H-pyrrole

C9H15N — CID 58746494

IUPAC4,5-dimethyl-2-propan-2-yl-3H-pyrrole
SMILESCC1=C(C)N=C(C(C)C)C1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h6H,5H2,1-4H3
InChIKeyYHJQSAWHLOVPRC-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds1

About 4,5-dimethyl-2-propan-2-yl-3H-pyrrole

4,5-dimethyl-2-propan-2-yl-3H-pyrrole (PubChem CID 58746494) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-3H-pyrrole
PubChem CID58746494
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4,5-dimethyl-2-propan-2-yl-3H-pyrrole
SMILESCC1=C(C)N=C(C(C)C)C1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h6H,5H2,1-4H3
InChIKeyYHJQSAWHLOVPRC-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 4,5-dimethyl-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-3H-pyrrole (CID 58746494) is 4,5-dimethyl-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-3H-pyrrole is CC1=C(C)N=C(C(C)C)C1.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-3H-pyrrole?
The InChIKey is YHJQSAWHLOVPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h6H,5H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-3H-pyrrole?
4,5-dimethyl-2-propan-2-yl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 58746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).