1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one

C12H24N2O2 — CID 115707316

IUPAC1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCCOCC(C)NCCCN1CCCC1=O
InChIInChI=1S/C12H24N2O2/c1-3-16-10-11(2)13-7-5-9-14-8-4-6-12(14)15/h11,13H,3-10H2,1-2H3
InChIKeyBNUKHIJVRXKGMA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds8

About 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one

1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one (PubChem CID 115707316) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one
PubChem CID115707316
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCCOCC(C)NCCCN1CCCC1=O
InChIInChI=1S/C12H24N2O2/c1-3-16-10-11(2)13-7-5-9-14-8-4-6-12(14)15/h11,13H,3-10H2,1-2H3
InChIKeyBNUKHIJVRXKGMA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-sulfanylethylamino)propyl]pyrrolidin-2-one
CID 130243875
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
(3S)-N-(4-methoxyphenyl)-3-[3-(2-oxoazepan-1-yl)propylamino]butanamide
CID 39966014
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146908

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one (CID 115707316) is 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one is CCOCC(C)NCCCN1CCCC1=O.
What is the InChIKey of 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is BNUKHIJVRXKGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-16-10-11(2)13-7-5-9-14-8-4-6-12(14)15/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one?
1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxypropan-2-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 115707316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).