(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride

C7H15ClN2O2 — CID 10726500

IUPAC(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride
SMILESCCOC(=O)CCCC(N)=[NH2+].[Cl-]
InChIInChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)5-3-4-6(8)9;/h2-5H2,1H3,(H3,8,9);1H
InChIKeyWBCZHGROORNARF-UHFFFAOYSA-N
MW194.66 g/mol
LogP-4.16
Rot. Bonds5

About (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride

(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride (PubChem CID 10726500) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride.

Molecular Properties

Compound Name(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride
PubChem CID10726500
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride
SMILESCCOC(=O)CCCC(N)=[NH2+].[Cl-]
InChIInChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)5-3-4-6(8)9;/h2-5H2,1H3,(H3,8,9);1H
InChIKeyWBCZHGROORNARF-UHFFFAOYSA-N
XLogP-4.16
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-4.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 5-ethoxy-5-sulfanylidenepentanoate
CID 54196447
dipotassium bis(5-ethoxy-5-oxopentanoate)
CID 141062236
ethyl undecanoate
CID 12327
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;rhodium
CID 87383837

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride?
The IUPAC name of (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride (CID 10726500) is (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride.
What is the SMILES notation for (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride?
The canonical SMILES for (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride is CCOC(=O)CCCC(N)=[NH2+].[Cl-].
What is the InChIKey of (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride?
The InChIKey is WBCZHGROORNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)5-3-4-6(8)9;/h2-5H2,1H3,(H3,8,9);1H.
What are the key properties of (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride?
(1-amino-5-ethoxy-5-oxopentylidene)azanium chloride has a molecular weight of 194.66 g/mol, XLogP of -4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-ethoxy-5-oxopentylidene)azanium chloride is sourced from PubChem (CID 10726500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).