1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone

C7H11NO — CID 144542761

IUPAC1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone
SMILESC=C1C[C@@H](C(C)=O)CN1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h7-8H,1,3-4H2,2H3/t7-/m1/s1
InChIKeyFBIYGHXVOSPWSQ-SSDOTTSWSA-N
MW125.17 g/mol
LogP0.70
Rot. Bonds1

About 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone

1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone (PubChem CID 144542761) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone
PubChem CID144542761
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone
SMILESC=C1C[C@@H](C(C)=O)CN1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h7-8H,1,3-4H2,2H3/t7-/m1/s1
InChIKeyFBIYGHXVOSPWSQ-SSDOTTSWSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone (CID 144542761) is 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone is C=C1C[C@@H](C(C)=O)CN1.
What is the InChIKey of 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone?
The InChIKey is FBIYGHXVOSPWSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(4-8-5)6(2)9/h7-8H,1,3-4H2,2H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone?
1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone has a molecular weight of 125.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone is sourced from PubChem (CID 144542761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).