1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone

C10H17NO — CID 58049274

IUPAC1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)C2CC2)C1
InChIInChI=1S/C10H17NO/c1-11-5-4-8(7-11)6-10(12)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyBFPTZODUOJHBSR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds3

About 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone

1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 58049274) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID58049274
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)C2CC2)C1
InChIInChI=1S/C10H17NO/c1-11-5-4-8(7-11)6-10(12)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyBFPTZODUOJHBSR-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethan-1-one
CID 164649357
2-(2,2-Difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethan-1-one
CID 164651256
2-Methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 20659584
1-(4-Ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 20743611
3,3-Dimethyl-1-(1-methylpyrrolidin-3-yl)butan-2-one
CID 58049266
1-(1-Methylpyrrolidin-3-yl)pentan-2-one
CID 58049268
4,4-Dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one
CID 58049269
3-Methyl-1-(1-methylpyrrolidin-3-yl)butan-2-one
CID 58049276
4-Methyl-1-pyrrolidin-3-ylpentan-2-one
CID 58325128
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one
CID 58326281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone (CID 58049274) is 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(CC(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is BFPTZODUOJHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-5-4-8(7-11)6-10(12)9-2-3-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone?
1-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 167.25 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-cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 58049274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).