5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one

C14H27NO — CID 106976672

IUPAC5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
SMILESCCCC1(C(=O)CCCC(C)C)CCCN1
InChIInChI=1S/C14H27NO/c1-4-9-14(10-6-11-15-14)13(16)8-5-7-12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyMWUMDJLLZHXGIG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.30
Rot. Bonds7

About 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one

5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one (PubChem CID 106976672) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
PubChem CID106976672
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
SMILESCCCC1(C(=O)CCCC(C)C)CCCN1
InChIInChI=1S/C14H27NO/c1-4-9-14(10-6-11-15-14)13(16)8-5-7-12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyMWUMDJLLZHXGIG-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one?
The IUPAC name of 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one (CID 106976672) is 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one is CCCC1(C(=O)CCCC(C)C)CCCN1.
What is the InChIKey of 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one?
The InChIKey is MWUMDJLLZHXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-14(10-6-11-15-14)13(16)8-5-7-12(2)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one?
5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one is sourced from PubChem (CID 106976672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).