4-methyl-2-propan-2-yl-2H-pyrrole

C8H13N — CID 170762944

IUPAC4-methyl-2-propan-2-yl-2H-pyrrole
SMILESCC1=CC(C(C)C)N=C1
InChIInChI=1S/C8H13N/c1-6(2)8-4-7(3)5-9-8/h4-6,8H,1-3H3
InChIKeyMLEFUZPAPICHIK-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

About 4-methyl-2-propan-2-yl-2H-pyrrole

4-methyl-2-propan-2-yl-2H-pyrrole (PubChem CID 170762944) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-2H-pyrrole
PubChem CID170762944
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-methyl-2-propan-2-yl-2H-pyrrole
SMILESCC1=CC(C(C)C)N=C1
InChIInChI=1S/C8H13N/c1-6(2)8-4-7(3)5-9-8/h4-6,8H,1-3H3
InChIKeyMLEFUZPAPICHIK-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 166924929
2-Isopropyl-2-ethyl-4-methylpyrrole
CID 129786814
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339
2,3-dimethyl-2H-pyrrole
CID 14938985
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2,4-dimethyl-2H-pyrrole
CID 23422197
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-2H-pyrrole?
The IUPAC name of 4-methyl-2-propan-2-yl-2H-pyrrole (CID 170762944) is 4-methyl-2-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 4-methyl-2-propan-2-yl-2H-pyrrole?
The canonical SMILES for 4-methyl-2-propan-2-yl-2H-pyrrole is CC1=CC(C(C)C)N=C1.
What is the InChIKey of 4-methyl-2-propan-2-yl-2H-pyrrole?
The InChIKey is MLEFUZPAPICHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-4-7(3)5-9-8/h4-6,8H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-2H-pyrrole?
4-methyl-2-propan-2-yl-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 170762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).