3-butyl-4-cyclohexylpyrrolidin-2-one

C14H25NO — CID 174456342

IUPAC3-butyl-4-cyclohexylpyrrolidin-2-one
SMILESCCCCC1C(=O)NCC1C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-3-9-12-13(10-15-14(12)16)11-7-5-4-6-8-11/h11-13H,2-10H2,1H3,(H,15,16)
InChIKeyWNIZWFSBXVNJNG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.12
Rot. Bonds4

About 3-butyl-4-cyclohexylpyrrolidin-2-one

3-butyl-4-cyclohexylpyrrolidin-2-one (PubChem CID 174456342) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-butyl-4-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name3-butyl-4-cyclohexylpyrrolidin-2-one
PubChem CID174456342
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-butyl-4-cyclohexylpyrrolidin-2-one
SMILESCCCCC1C(=O)NCC1C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-3-9-12-13(10-15-14(12)16)11-7-5-4-6-8-11/h11-13H,2-10H2,1H3,(H,15,16)
InChIKeyWNIZWFSBXVNJNG-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-4-cyclohexyl-3-pentyloxolan-2-one
CID 134999442
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
4-cyclohexyl-3-ethylpiperidine-2,6-dione
CID 79321349
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
CID 53424399
[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane
CID 11067934
3-butyl-4-ethenylazetidin-2-one
CID 13000011
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-cyclohexylpyrrolidin-2-one?
The IUPAC name of 3-butyl-4-cyclohexylpyrrolidin-2-one (CID 174456342) is 3-butyl-4-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 3-butyl-4-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 3-butyl-4-cyclohexylpyrrolidin-2-one is CCCCC1C(=O)NCC1C1CCCCC1.
What is the InChIKey of 3-butyl-4-cyclohexylpyrrolidin-2-one?
The InChIKey is WNIZWFSBXVNJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-9-12-13(10-15-14(12)16)11-7-5-4-6-8-11/h11-13H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-butyl-4-cyclohexylpyrrolidin-2-one?
3-butyl-4-cyclohexylpyrrolidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 174456342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).