4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one

C11H21NO — CID 159001557

IUPAC4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C11H21NO/c1-8(2)4-5-11(13)10-6-9(3)7-12-10/h8-10,12H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyDIPLQUABCBEUHK-UWVGGRQHSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds4

About 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one

4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one (PubChem CID 159001557) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one
PubChem CID159001557
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C11H21NO/c1-8(2)4-5-11(13)10-6-9(3)7-12-10/h8-10,12H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyDIPLQUABCBEUHK-UWVGGRQHSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one (CID 159001557) is 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one is CC(C)CCC(=O)[C@@H]1C[C@H](C)CN1.
What is the InChIKey of 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one?
The InChIKey is DIPLQUABCBEUHK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)4-5-11(13)10-6-9(3)7-12-10/h8-10,12H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one?
4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one is sourced from PubChem (CID 159001557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).