1-(1-ethylpyrrolidin-3-yl)propan-2-one

C9H17NO — CID 91527917

IUPAC1-(1-ethylpyrrolidin-3-yl)propan-2-one
SMILESCCN1CCC(CC(C)=O)C1
InChIInChI=1S/C9H17NO/c1-3-10-5-4-9(7-10)6-8(2)11/h9H,3-7H2,1-2H3
InChIKeyLTNXPVWRBOYXIJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-ethylpyrrolidin-3-yl)propan-2-one

1-(1-ethylpyrrolidin-3-yl)propan-2-one (PubChem CID 91527917) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)propan-2-one
PubChem CID91527917
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-ethylpyrrolidin-3-yl)propan-2-one
SMILESCCN1CCC(CC(C)=O)C1
InChIInChI=1S/C9H17NO/c1-3-10-5-4-9(7-10)6-8(2)11/h9H,3-7H2,1-2H3
InChIKeyLTNXPVWRBOYXIJ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
1,3-diethylpyrrolidine;ethane
CID 145103245
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
1,3-diethylpyrrolidine;formonitrile
CID 175874911
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
1-(1-phosphanylpiperidin-3-yl)propan-2-one
CID 20714244

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)propan-2-one?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)propan-2-one (CID 91527917) is 1-(1-ethylpyrrolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)propan-2-one?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)propan-2-one is CCN1CCC(CC(C)=O)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)propan-2-one?
The InChIKey is LTNXPVWRBOYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-5-4-9(7-10)6-8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)propan-2-one?
1-(1-ethylpyrrolidin-3-yl)propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)propan-2-one is sourced from PubChem (CID 91527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).