propan-2-one;pyrrolidine

C7H15NO — CID 67819673

IUPACpropan-2-one;pyrrolidine
SMILESC1CCNC1.CC(C)=O
InChIInChI=1S/C4H9N.C3H6O/c1-2-4-5-3-1;1-3(2)4/h5H,1-4H2;1-2H3
InChIKeyGCMPNULCLNCRBA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.97
Rot. Bonds

About propan-2-one;pyrrolidine

propan-2-one;pyrrolidine (PubChem CID 67819673) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is propan-2-one;pyrrolidine.

Molecular Properties

Compound Namepropan-2-one;pyrrolidine
PubChem CID67819673
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namepropan-2-one;pyrrolidine
SMILESC1CCNC1.CC(C)=O
InChIInChI=1S/C4H9N.C3H6O/c1-2-4-5-3-1;1-3(2)4/h5H,1-4H2;1-2H3
InChIKeyGCMPNULCLNCRBA-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70586342
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CID 18321731
acetamide;piperazine
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Frequently Asked Questions

What is the IUPAC name of propan-2-one;pyrrolidine?
The IUPAC name of propan-2-one;pyrrolidine (CID 67819673) is propan-2-one;pyrrolidine.
What is the SMILES notation for propan-2-one;pyrrolidine?
The canonical SMILES for propan-2-one;pyrrolidine is C1CCNC1.CC(C)=O.
What is the InChIKey of propan-2-one;pyrrolidine?
The InChIKey is GCMPNULCLNCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H6O/c1-2-4-5-3-1;1-3(2)4/h5H,1-4H2;1-2H3.
What are the key properties of propan-2-one;pyrrolidine?
propan-2-one;pyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;pyrrolidine is sourced from PubChem (CID 67819673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).