1-pyrrolidin-3-ylethanone

C6H11NO — CID 19608940

IUPAC1-pyrrolidin-3-ylethanone
SMILESCC(=O)C1CCNC1
InChIInChI=1S/C6H11NO/c1-5(8)6-2-3-7-4-6/h6-7H,2-4H2,1H3
InChIKeyAIYWRXHLMWJMJO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.18
Rot. Bonds1

About 1-pyrrolidin-3-ylethanone

1-pyrrolidin-3-ylethanone (PubChem CID 19608940) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-pyrrolidin-3-ylethanone
PubChem CID19608940
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-pyrrolidin-3-ylethanone
SMILESCC(=O)C1CCNC1
InChIInChI=1S/C6H11NO/c1-5(8)6-2-3-7-4-6/h6-7H,2-4H2,1H3
InChIKeyAIYWRXHLMWJMJO-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylethanone?
The IUPAC name of 1-pyrrolidin-3-ylethanone (CID 19608940) is 1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-pyrrolidin-3-ylethanone is CC(=O)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylethanone?
The InChIKey is AIYWRXHLMWJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)6-2-3-7-4-6/h6-7H,2-4H2,1H3.
What are the key properties of 1-pyrrolidin-3-ylethanone?
1-pyrrolidin-3-ylethanone has a molecular weight of 113.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 19608940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).