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

C15H29NO — CID 177101815

IUPAC2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
SMILESCC(C)CC1CC(C(=O)C(C)C)N(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-10(2)7-13-8-14(15(17)11(3)4)16(9-13)12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyJGBPZJRHKLWZTR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

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

2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one (PubChem CID 177101815) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
PubChem CID177101815
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
SMILESCC(C)CC1CC(C(=O)C(C)C)N(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-10(2)7-13-8-14(15(17)11(3)4)16(9-13)12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyJGBPZJRHKLWZTR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one (CID 177101815) is 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one is CC(C)CC1CC(C(=O)C(C)C)N(C(C)C)C1.
What is the InChIKey of 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one?
The InChIKey is JGBPZJRHKLWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-10(2)7-13-8-14(15(17)11(3)4)16(9-13)12(5)6/h10-14H,7-9H2,1-6H3.
What are the key properties of 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one?
2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 177101815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).