1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one

C11H22N2O3 — CID 71094030

IUPAC1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESNCCCOCCOCCN1CCCC1=O
InChIInChI=1S/C11H22N2O3/c12-4-2-7-15-9-10-16-8-6-13-5-1-3-11(13)14/h1-10,12H2
InChIKeyNNQMBDLQBFZSOD-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds9

About 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 71094030) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID71094030
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESNCCCOCCOCCN1CCCC1=O
InChIInChI=1S/C11H22N2O3/c12-4-2-7-15-9-10-16-8-6-13-5-1-3-11(13)14/h1-10,12H2
InChIKeyNNQMBDLQBFZSOD-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[(2-oxoazepan-1-yl)methoxymethyl]azepan-2-one;bis(1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one);1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one;1-[(2-oxopiperidin-1-yl)methoxymethyl]piperidin-2-one;1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]piperidin-2-one;1-[4-[4-(2-oxopyrrolidin-1-yl)butoxy]butyl]pyrrolidin-2-one;1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]pyrrolidin-2-one;1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one;1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one;1-[3-[3-(2-oxopyrrolidin-1-yl)propoxy]propyl]pyrrolidin-2-one
CID 160575603
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]azepan-2-one
CID 67979069

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one (CID 71094030) is 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one is NCCCOCCOCCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is NNQMBDLQBFZSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c12-4-2-7-15-9-10-16-8-6-13-5-1-3-11(13)14/h1-10,12H2.
What are the key properties of 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of -0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71094030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).