1-(1-methylpyrrolidin-3-yl)pentan-2-one

C10H19NO — CID 58049268

IUPAC1-(1-methylpyrrolidin-3-yl)pentan-2-one
SMILESCCCC(=O)CC1CCN(C)C1
InChIInChI=1S/C10H19NO/c1-3-4-10(12)7-9-5-6-11(2)8-9/h9H,3-8H2,1-2H3
InChIKeyCIVLSRSHZJZTGK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds4

About 1-(1-methylpyrrolidin-3-yl)pentan-2-one

1-(1-methylpyrrolidin-3-yl)pentan-2-one (PubChem CID 58049268) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)pentan-2-one.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)pentan-2-one
PubChem CID58049268
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(1-methylpyrrolidin-3-yl)pentan-2-one
SMILESCCCC(=O)CC1CCN(C)C1
InChIInChI=1S/C10H19NO/c1-3-4-10(12)7-9-5-6-11(2)8-9/h9H,3-8H2,1-2H3
InChIKeyCIVLSRSHZJZTGK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-1-ylmethyl)cyclododecanone
CID 380177
1,1,1-trifluoro-3-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 59085041
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
CID 130410184
(5R)-2-methyl-2-azaspiro[4.5]decan-7-one
CID 14814830
2,3-diacetonyl-N-methyl-pyrrolidine
CID 175665133
1,1,1-Trifluoro-3-[1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 21355222
1-Fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one
CID 105431233
3-Fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 105435542
trimethyl-[[(1S)-3-oxocyclopentyl]methyl]azanium
CID 118719157
5,5,5-Trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
CID 158121951
3-methyl-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butan-2-one
CID 159728863
3-methyl-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butan-2-one
CID 159728864

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)pentan-2-one (CID 58049268) is 1-(1-methylpyrrolidin-3-yl)pentan-2-one.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)pentan-2-one is CCCC(=O)CC1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The InChIKey is CIVLSRSHZJZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-10(12)7-9-5-6-11(2)8-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)pentan-2-one?
1-(1-methylpyrrolidin-3-yl)pentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)pentan-2-one is sourced from PubChem (CID 58049268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).