5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one

C10H19NO — CID 164547640

IUPAC5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-9-5-3-7-11(9)8-4-6-10(2)12/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyPNAWOVPBONLCAX-VIFPVBQESA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds4

About 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one

5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one (PubChem CID 164547640) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one
PubChem CID164547640
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-9-5-3-7-11(9)8-4-6-10(2)12/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyPNAWOVPBONLCAX-VIFPVBQESA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one?
The IUPAC name of 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one (CID 164547640) is 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one.
What is the SMILES notation for 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one?
The canonical SMILES for 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one is CC(=O)CCCN1CCC[C@@H]1C.
What is the InChIKey of 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one?
The InChIKey is PNAWOVPBONLCAX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO/c1-9-5-3-7-11(9)8-4-6-10(2)12/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one?
5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylpyrrolidin-1-yl]pentan-2-one is sourced from PubChem (CID 164547640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).