2-hexan-2-yl-2-methylpyrrole

C11H19N — CID 91352263

IUPAC2-hexan-2-yl-2-methylpyrrole
SMILESCCCCC(C)C1(C)C=CC=N1
InChIInChI=1S/C11H19N/c1-4-5-7-10(2)11(3)8-6-9-12-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNDANTLDEMADHMB-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds4

About 2-hexan-2-yl-2-methylpyrrole

2-hexan-2-yl-2-methylpyrrole (PubChem CID 91352263) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-hexan-2-yl-2-methylpyrrole.

Molecular Properties

Compound Name2-hexan-2-yl-2-methylpyrrole
PubChem CID91352263
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-hexan-2-yl-2-methylpyrrole
SMILESCCCCC(C)C1(C)C=CC=N1
InChIInChI=1S/C11H19N/c1-4-5-7-10(2)11(3)8-6-9-12-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNDANTLDEMADHMB-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanespiropyrrole
CID 129871589
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2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-2-methylpyrrole?
The IUPAC name of 2-hexan-2-yl-2-methylpyrrole (CID 91352263) is 2-hexan-2-yl-2-methylpyrrole.
What is the SMILES notation for 2-hexan-2-yl-2-methylpyrrole?
The canonical SMILES for 2-hexan-2-yl-2-methylpyrrole is CCCCC(C)C1(C)C=CC=N1.
What is the InChIKey of 2-hexan-2-yl-2-methylpyrrole?
The InChIKey is NDANTLDEMADHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-7-10(2)11(3)8-6-9-12-11/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 2-hexan-2-yl-2-methylpyrrole?
2-hexan-2-yl-2-methylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-2-methylpyrrole is sourced from PubChem (CID 91352263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).