4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C14H20N2O2 — CID 117022534

IUPAC4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2C(=O)CC(N)C2C)cc1
InChIInChI=1S/C14H20N2O2/c1-9(2)18-12-6-4-11(5-7-12)16-10(3)13(15)8-14(16)17/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyDZVPXXWDKSZFHA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds3

About 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 117022534) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID117022534
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2C(=O)CC(N)C2C)cc1
InChIInChI=1S/C14H20N2O2/c1-9(2)18-12-6-4-11(5-7-12)16-10(3)13(15)8-14(16)17/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyDZVPXXWDKSZFHA-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
CID 117022515
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 71082337
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one
CID 82193025
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
(4aS,7aR)-4-(3,4-dimethylphenyl)-6,6-dioxo-1-(4-propan-2-yloxyphenyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 42271273
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 117022534) is 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)Oc1ccc(N2C(=O)CC(N)C2C)cc1.
What is the InChIKey of 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is DZVPXXWDKSZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)18-12-6-4-11(5-7-12)16-10(3)13(15)8-14(16)17/h4-7,9-10,13H,8,15H2,1-3H3.
What are the key properties of 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 117022534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).