1-pyrrolidin-1-ylpropan-2-one

C7H13NO — CID 15774823

IUPAC1-pyrrolidin-1-ylpropan-2-one
SMILESCC(=O)CN1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
InChIKeyYZZYFRBPGIXHPD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds2

About 1-pyrrolidin-1-ylpropan-2-one

1-pyrrolidin-1-ylpropan-2-one (PubChem CID 15774823) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-one
PubChem CID15774823
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-pyrrolidin-1-ylpropan-2-one
SMILESCC(=O)CN1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
InChIKeyYZZYFRBPGIXHPD-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-one?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-one (CID 15774823) is 1-pyrrolidin-1-ylpropan-2-one.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-one?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-one is CC(=O)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-one?
The InChIKey is YZZYFRBPGIXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-one?
1-pyrrolidin-1-ylpropan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-one is sourced from PubChem (CID 15774823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).