N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C14H18ClN3O4 — CID 119619009

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN1CC(C(=O)Nc2cc3c(cc2N)OCO3)CC1=O.Cl
InChIInChI=1S/C14H17N3O4.ClH/c1-2-17-6-8(3-13(17)18)14(19)16-10-5-12-11(4-9(10)15)20-7-21-12;/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19);1H
InChIKeyZSKVAKSXSOATKA-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.23
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119619009) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119619009
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN1CC(C(=O)Nc2cc3c(cc2N)OCO3)CC1=O.Cl
InChIInChI=1S/C14H17N3O4.ClH/c1-2-17-6-8(3-13(17)18)14(19)16-10-5-12-11(4-9(10)15)20-7-21-12;/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19);1H
InChIKeyZSKVAKSXSOATKA-UHFFFAOYSA-N
XLogP1.23
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119618091
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119618817
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119618037
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618446
(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
CID 51594975
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 122149889
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
CID 119618728
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119618169
(3R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51711534
N-(6-amino-1,3-benzodioxol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824227

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119619009) is N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCN1CC(C(=O)Nc2cc3c(cc2N)OCO3)CC1=O.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZSKVAKSXSOATKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4.ClH/c1-2-17-6-8(3-13(17)18)14(19)16-10-5-12-11(4-9(10)15)20-7-21-12;/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 327.77 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119619009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).