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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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).