1-(5-methylpyrrolidin-3-yl)ethanone;propane

C10H21NO — CID 142600137

IUPAC1-(5-methylpyrrolidin-3-yl)ethanone;propane
SMILESCC(=O)C1CNC(C)C1.CCC
InChIInChI=1S/C7H13NO.C3H8/c1-5-3-7(4-8-5)6(2)9;1-3-2/h5,7-8H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyZDJMRJZBHOXOSQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds1

About 1-(5-methylpyrrolidin-3-yl)ethanone;propane

1-(5-methylpyrrolidin-3-yl)ethanone;propane (PubChem CID 142600137) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(5-methylpyrrolidin-3-yl)ethanone;propane.

Molecular Properties

Compound Name1-(5-methylpyrrolidin-3-yl)ethanone;propane
PubChem CID142600137
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(5-methylpyrrolidin-3-yl)ethanone;propane
SMILESCC(=O)C1CNC(C)C1.CCC
InChIInChI=1S/C7H13NO.C3H8/c1-5-3-7(4-8-5)6(2)9;1-3-2/h5,7-8H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyZDJMRJZBHOXOSQ-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
tris(2-methylaziridine);propanoic acid
CID 175600727
1-(2-methylpiperidin-4-yl)propan-1-one
CID 165461766
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792
1-cyclopentylethanone;propane
CID 145026358
2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
CID 121313483
4-ethyl-2-methylpyrrolidine
CID 23313713
6-methyl-N,N-dipropylpiperidine-3-carboxamide
CID 24702568
[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
CID 68712143
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
N,6-dimethyl-N-propylpiperidine-3-carboxamide
CID 43271513
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrrolidin-3-yl)ethanone;propane?
The IUPAC name of 1-(5-methylpyrrolidin-3-yl)ethanone;propane (CID 142600137) is 1-(5-methylpyrrolidin-3-yl)ethanone;propane.
What is the SMILES notation for 1-(5-methylpyrrolidin-3-yl)ethanone;propane?
The canonical SMILES for 1-(5-methylpyrrolidin-3-yl)ethanone;propane is CC(=O)C1CNC(C)C1.CCC.
What is the InChIKey of 1-(5-methylpyrrolidin-3-yl)ethanone;propane?
The InChIKey is ZDJMRJZBHOXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H8/c1-5-3-7(4-8-5)6(2)9;1-3-2/h5,7-8H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(5-methylpyrrolidin-3-yl)ethanone;propane?
1-(5-methylpyrrolidin-3-yl)ethanone;propane has a molecular weight of 171.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrrolidin-3-yl)ethanone;propane is sourced from PubChem (CID 142600137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).