2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one

C13H25NO — CID 147250143

IUPAC2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)CC1CC(C)CN1C(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)6-12-7-11(5)8-14(12)13(15)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyCMNHRBKNPOICDD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one

2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 147250143) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID147250143
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)CC1CC(C)CN1C(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)6-12-7-11(5)8-14(12)13(15)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyCMNHRBKNPOICDD-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one (CID 147250143) is 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one is CC(C)CC1CC(C)CN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is CMNHRBKNPOICDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)6-12-7-11(5)8-14(12)13(15)10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 147250143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).