1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen

C12H28N2O2 — CID 171546139

IUPAC1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
SMILESC=O.CC.CC(C)C1CC(=O)N(CCN)C1.[H][H]
InChIInChI=1S/C9H18N2O.C2H6.CH2O.H2/c1-7(2)8-5-9(12)11(6-8)4-3-10;2*1-2;/h7-8H,3-6,10H2,1-2H3;1-2H3;1H2;1H
InChIKeyUOKSAYQAYGYLGU-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.54
Rot. Bonds3

About 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen

1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen (PubChem CID 171546139) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
PubChem CID171546139
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
SMILESC=O.CC.CC(C)C1CC(=O)N(CCN)C1.[H][H]
InChIInChI=1S/C9H18N2O.C2H6.CH2O.H2/c1-7(2)8-5-9(12)11(6-8)4-3-10;2*1-2;/h7-8H,3-6,10H2,1-2H3;1-2H3;1H2;1H
InChIKeyUOKSAYQAYGYLGU-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[(E)-4-chlorobut-2-enyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511290
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
1-[3-(2-methylpropylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511445
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
CID 106800567
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-[2-(2-hydroxycyclopentyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 113421234

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen?
The IUPAC name of 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen (CID 171546139) is 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen.
What is the SMILES notation for 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen?
The canonical SMILES for 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen is C=O.CC.CC(C)C1CC(=O)N(CCN)C1.[H][H].
What is the InChIKey of 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen?
The InChIKey is UOKSAYQAYGYLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6.CH2O.H2/c1-7(2)8-5-9(12)11(6-8)4-3-10;2*1-2;/h7-8H,3-6,10H2,1-2H3;1-2H3;1H2;1H.
What are the key properties of 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen?
1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen has a molecular weight of 232.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen is sourced from PubChem (CID 171546139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).