1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone

C13H23NO — CID 165387278

IUPAC1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
SMILESCC(C)CN1CC[C@@H](CC(=O)C2CC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyKLMOOTFIRMDGSY-NSHDSACASA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds5

About 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone

1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone (PubChem CID 165387278) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
PubChem CID165387278
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
SMILESCC(C)CN1CC[C@@H](CC(=O)C2CC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyKLMOOTFIRMDGSY-NSHDSACASA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
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
1-Cyclopropyl-2-(1-methylpyrrolidin-3-yl)ethanone
CID 58049274
3-Methyl-1-(1-methylpyrrolidin-3-yl)butan-2-one
CID 58049276
4-Methyl-1-pyrrolidin-3-ylpentan-2-one
CID 58325128

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone (CID 165387278) is 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone is CC(C)CN1CC[C@@H](CC(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The InChIKey is KLMOOTFIRMDGSY-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12/h10-12H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 165387278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).