1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone

C12H23NO — CID 143089491

IUPAC1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
SMILESCCCCCC1CCC(C(C)=O)N1C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-11-8-9-12(10(2)14)13(11)3/h11-12H,4-9H2,1-3H3
InChIKeySFFAEDXJTHQMGE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone

1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone (PubChem CID 143089491) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
PubChem CID143089491
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
SMILESCCCCCC1CCC(C(C)=O)N1C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-11-8-9-12(10(2)14)13(11)3/h11-12H,4-9H2,1-3H3
InChIKeySFFAEDXJTHQMGE-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone
CID 70868646
2-heptyl-5-hex-5-enyl-1-methylpyrrolidine
CID 597281
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
2-decylaziridine-1-carboxamide
CID 175486597
(2S,5S)-5-hexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 135016217
1-(4-pentylcyclohexyl)ethanone
CID 13278013
1-(2-butyl-5-methylpiperidin-1-yl)ethanone
CID 91136456
2-nonylpiperidine-1-carboxylic acid
CID 69469776
ethyl 2-pentylaziridine-1-carboxylate
CID 86053424
3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 59738209
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone (CID 143089491) is 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone is CCCCCC1CCC(C(C)=O)N1C.
What is the InChIKey of 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone?
The InChIKey is SFFAEDXJTHQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-7-11-8-9-12(10(2)14)13(11)3/h11-12H,4-9H2,1-3H3.
What are the key properties of 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone?
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 143089491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).