(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one

C10H19NO2 — CID 54273949

IUPAC(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one
SMILESCOCCC(C)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO2/c1-8(3-4-13-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyRMCDNNZKHQGYAZ-GKAPJAKFSA-N
MW185.27 g/mol
LogP1.19
Rot. Bonds5

About (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one

(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one (PubChem CID 54273949) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one
PubChem CID54273949
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one
SMILESCOCCC(C)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO2/c1-8(3-4-13-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyRMCDNNZKHQGYAZ-GKAPJAKFSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrolidinone, 4-(tetrahydro-2-furanyl)-
CID 89500652
N-(3-methylbutyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 93611960
Ethyl 6-(2-methyl-5-oxopyrrolidin-3-yl)hexanoate
CID 145705649
4-(2-Ethylbutyl)pyrrolidin-2-one
CID 11309764
5-(3-Hydroxypropyl)-4-methylpyrrolidin-2-one
CID 18428563
5-Ethyl-3-(4-hydroxybutyl)pyrrolidin-2-one
CID 20266326
5-[2-[(2-Methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one
CID 20627186
4-(2-Methylbutyl)pyrrolidin-2-one
CID 21888248
4-(3-Methoxy-2-methylpropyl)pyrrolidin-2-one
CID 21888250
4-(4-Methoxy-2-methylbutyl)pyrrolidin-2-one
CID 21888353
4-(4-Hydroxybutyl)pyrrolidin-2-one
CID 54172002
4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one
CID 54293495

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one (CID 54273949) is (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one is COCCC(C)C[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one?
The InChIKey is RMCDNNZKHQGYAZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(3-4-13-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1.
What are the key properties of (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one?
(4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxy-2-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 54273949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).