[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone

C10H16FNO — CID 174064359

IUPAC[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone
SMILESC[C@@H]1C[C@H](C)N(C(=O)C2(F)CC2)C1
InChIInChI=1S/C10H16FNO/c1-7-5-8(2)12(6-7)9(13)10(11)3-4-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyVPEZJPGHRYNDIT-SFYZADRCSA-N
MW185.24 g/mol
LogP1.75
Rot. Bonds1

About [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone

[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 174064359) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone
PubChem CID174064359
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone
SMILESC[C@@H]1C[C@H](C)N(C(=O)C2(F)CC2)C1
InChIInChI=1S/C10H16FNO/c1-7-5-8(2)12(6-7)9(13)10(11)3-4-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyVPEZJPGHRYNDIT-SFYZADRCSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone (CID 174064359) is [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone is C[C@@H]1C[C@H](C)N(C(=O)C2(F)CC2)C1.
What is the InChIKey of [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is VPEZJPGHRYNDIT-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7-5-8(2)12(6-7)9(13)10(11)3-4-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone?
[(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 185.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2,4-dimethylpyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 174064359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).