1-pyrrolidin-2-ylpropan-2-one

C7H13NO — CID 45085262

IUPAC1-pyrrolidin-2-ylpropan-2-one
SMILESCC(=O)CC1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3
InChIKeyZAJDAGLJUKMNJL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds2

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

1-pyrrolidin-2-ylpropan-2-one (PubChem CID 45085262) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-pyrrolidin-2-ylpropan-2-one
PubChem CID45085262
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-pyrrolidin-2-ylpropan-2-one
SMILESCC(=O)CC1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3
InChIKeyZAJDAGLJUKMNJL-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
1-(azetidin-2-yl)propan-2-one
CID 91315786
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 54308072
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
CID 130847336
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
methyl 2-[[(2S)-pyrrolidin-2-yl]methyl]prop-2-enoate
CID 167727766

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-pyrrolidin-2-ylpropan-2-one (CID 45085262) is 1-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-pyrrolidin-2-ylpropan-2-one is CC(=O)CC1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylpropan-2-one?
The InChIKey is ZAJDAGLJUKMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylpropan-2-one?
1-pyrrolidin-2-ylpropan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 45085262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).