1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one

C17H33NO — CID 91559137

IUPAC1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
SMILESCCCCC(C)(CC(C)(CC)CC)N1CCCC1=O
InChIInChI=1S/C17H33NO/c1-6-9-12-17(5,14-16(4,7-2)8-3)18-13-10-11-15(18)19/h6-14H2,1-5H3
InChIKeyQNHFJGHFFMEZIB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.77
Rot. Bonds8

About 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one

1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one (PubChem CID 91559137) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
PubChem CID91559137
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
SMILESCCCCC(C)(CC(C)(CC)CC)N1CCCC1=O
InChIInChI=1S/C17H33NO/c1-6-9-12-17(5,14-16(4,7-2)8-3)18-13-10-11-15(18)19/h6-14H2,1-5H3
InChIKeyQNHFJGHFFMEZIB-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,2-dimethylhexyl)pyrrolidin-2-one
CID 129135840
1-(1,1-difluoropropyl)pyrrolidin-2-one
CID 174968097
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-O-butyl 7-O-(2,5-dioxopyrrolidin-1-yl) 2-ethyl-2,4,6,6-tetramethyl-4-(2-oxopyrrolidin-1-yl)heptanedioate
CID 58918098
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872
1-(3-methylheptan-3-yl)piperidine
CID 154999026
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
CID 130272243
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one (CID 91559137) is 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one is CCCCC(C)(CC(C)(CC)CC)N1CCCC1=O.
What is the InChIKey of 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one?
The InChIKey is QNHFJGHFFMEZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-9-12-17(5,14-16(4,7-2)8-3)18-13-10-11-15(18)19/h6-14H2,1-5H3.
What are the key properties of 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one?
1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one has a molecular weight of 267.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 91559137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).