propan-2-one;1-propan-2-ylpyrrolidine

C10H21NO — CID 160872903

IUPACpropan-2-one;1-propan-2-ylpyrrolidine
SMILESCC(C)=O.CC(C)N1CCCC1
InChIInChI=1S/C7H15N.C3H6O/c1-7(2)8-5-3-4-6-8;1-3(2)4/h7H,3-6H2,1-2H3;1-2H3
InChIKeySLZLCFCVHDLGFL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds1

About propan-2-one;1-propan-2-ylpyrrolidine

propan-2-one;1-propan-2-ylpyrrolidine (PubChem CID 160872903) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is propan-2-one;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namepropan-2-one;1-propan-2-ylpyrrolidine
PubChem CID160872903
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namepropan-2-one;1-propan-2-ylpyrrolidine
SMILESCC(C)=O.CC(C)N1CCCC1
InChIInChI=1S/C7H15N.C3H6O/c1-7(2)8-5-3-4-6-8;1-3(2)4/h7H,3-6H2,1-2H3;1-2H3
InChIKeySLZLCFCVHDLGFL-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169177583
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CID 177325228
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CID 170791695
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
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CID 142245197
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of propan-2-one;1-propan-2-ylpyrrolidine?
The IUPAC name of propan-2-one;1-propan-2-ylpyrrolidine (CID 160872903) is propan-2-one;1-propan-2-ylpyrrolidine.
What is the SMILES notation for propan-2-one;1-propan-2-ylpyrrolidine?
The canonical SMILES for propan-2-one;1-propan-2-ylpyrrolidine is CC(C)=O.CC(C)N1CCCC1.
What is the InChIKey of propan-2-one;1-propan-2-ylpyrrolidine?
The InChIKey is SLZLCFCVHDLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C3H6O/c1-7(2)8-5-3-4-6-8;1-3(2)4/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of propan-2-one;1-propan-2-ylpyrrolidine?
propan-2-one;1-propan-2-ylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160872903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).