5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one

C11H21NO — CID 63217799

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCCC1(C)C
InChIInChI=1S/C11H21NO/c1-10(13)6-4-8-12-9-5-7-11(12,2)3/h4-9H2,1-3H3
InChIKeyKCTBCCJIWCTNLN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.23
Rot. Bonds4

About 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one

5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one (PubChem CID 63217799) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
PubChem CID63217799
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCCC1(C)C
InChIInChI=1S/C11H21NO/c1-10(13)6-4-8-12-9-5-7-11(12,2)3/h4-9H2,1-3H3
InChIKeyKCTBCCJIWCTNLN-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropanamide
CID 130638261
1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 63217440
4-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 55162900
1-(3-chloropropyl)-2,2-dimethylpyrrolidine
CID 23091634
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 63217657
N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 63218242
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 76987380
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 63215697

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one (CID 63217799) is 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one is CC(=O)CCCN1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one?
The InChIKey is KCTBCCJIWCTNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(13)6-4-8-12-9-5-7-11(12,2)3/h4-9H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one?
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one is sourced from PubChem (CID 63217799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).