4-nonylpyrrolidin-2-one

C13H25NO — CID 143116205

IUPAC4-nonylpyrrolidin-2-one
SMILESCCCCCCCCCC1CNC(=O)C1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-10-13(15)14-11-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyKZGNEMPHIVACNI-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds8

About 4-nonylpyrrolidin-2-one

4-nonylpyrrolidin-2-one (PubChem CID 143116205) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-nonylpyrrolidin-2-one.

Molecular Properties

Compound Name4-nonylpyrrolidin-2-one
PubChem CID143116205
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-nonylpyrrolidin-2-one
SMILESCCCCCCCCCC1CNC(=O)C1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-10-13(15)14-11-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyKZGNEMPHIVACNI-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexylpyrrolidin-2-one
CID 18921442
4-undecylcyclopentane-1,2-dione
CID 54303237
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
5-tridecylcyclohexane-1,3-dione
CID 71394051
3-hexylazetidine
CID 79452100
4-heptyl-1,5-diazonan-2-one
CID 10988412
(4S)-4-(2-methylpentyl)pyrrolidin-2-one
CID 54458204
2-pentadecylcyclopropan-1-one
CID 70874004
4-decylcyclohexan-1-one
CID 13479948
4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
CID 142081535
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671

Frequently Asked Questions

What is the IUPAC name of 4-nonylpyrrolidin-2-one?
The IUPAC name of 4-nonylpyrrolidin-2-one (CID 143116205) is 4-nonylpyrrolidin-2-one.
What is the SMILES notation for 4-nonylpyrrolidin-2-one?
The canonical SMILES for 4-nonylpyrrolidin-2-one is CCCCCCCCCC1CNC(=O)C1.
What is the InChIKey of 4-nonylpyrrolidin-2-one?
The InChIKey is KZGNEMPHIVACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-10-13(15)14-11-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of 4-nonylpyrrolidin-2-one?
4-nonylpyrrolidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylpyrrolidin-2-one is sourced from PubChem (CID 143116205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).