1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one

C10H20N2O — CID 104523323

IUPAC1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(C(C)(C)CN)C1
InChIInChI=1S/C10H20N2O/c1-4-8-5-9(13)12(6-8)10(2,3)7-11/h8H,4-7,11H2,1-3H3
InChIKeyUYQTYMQDCNRXHF-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one

1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one (PubChem CID 104523323) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
PubChem CID104523323
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(C(C)(C)CN)C1
InChIInChI=1S/C10H20N2O/c1-4-8-5-9(13)12(6-8)10(2,3)7-11/h8H,4-7,11H2,1-3H3
InChIKeyUYQTYMQDCNRXHF-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672749
4-ethyl-1-phosphanylpyrrolidin-2-one
CID 123863905
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
CID 168675038
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
[1-(2-methylbut-3-yn-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675037
[1-(2-methylbut-3-yn-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672606
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-propylimidazolidin-2-one
CID 116981362
1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one
CID 67781043
2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
CID 115825255
2-(4-ethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 61420944
4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
CID 104523184
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
CID 130530923

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one (CID 104523323) is 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one is CCC1CC(=O)N(C(C)(C)CN)C1.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one?
The InChIKey is UYQTYMQDCNRXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-8-5-9(13)12(6-8)10(2,3)7-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one?
1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 104523323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).