(ethylideneamino) hydrogen carbonate;pyridine

C8H10N2O3 — CID 174441096

IUPAC(ethylideneamino) hydrogen carbonate;pyridine
SMILESCC=NOC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C3H5NO3/c1-2-4-6-5-3-1;1-2-4-7-3(5)6/h1-5H;2H,1H3,(H,5,6)
InChIKeyTZVLJGHOZLNQSU-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.77
Rot. Bonds1

About (ethylideneamino) hydrogen carbonate;pyridine

(ethylideneamino) hydrogen carbonate;pyridine (PubChem CID 174441096) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (ethylideneamino) hydrogen carbonate;pyridine.

Molecular Properties

Compound Name(ethylideneamino) hydrogen carbonate;pyridine
PubChem CID174441096
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(ethylideneamino) hydrogen carbonate;pyridine
SMILESCC=NOC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C3H5NO3/c1-2-4-6-5-3-1;1-2-4-7-3(5)6/h1-5H;2H,1H3,(H,5,6)
InChIKeyTZVLJGHOZLNQSU-UHFFFAOYSA-N
XLogP1.77
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (ethylideneamino) hydrogen carbonate;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alumanyl acetate;methane;pyridine
CID 174839207
acetic acid;ethane;pyridine
CID 91392032
acetic acid;bis(pyridine);hydrate
CID 67804829
bis(pyridine);urea;hydrofluoride
CID 174564586
[(E)-ethylideneamino] benzoate
CID 59571787
acetyl bromide;pyridine
CID 87730061
[(E)-ethylideneamino] carbamate
CID 141143420
but-2-enedioic acid;bis(pyridine)
CID 173055227
copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate
CID 139159655
acetyl acetate;ethane;pyridine
CID 143350505
formic acid;bis(pyridine)
CID 158008580
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229

Frequently Asked Questions

What is the IUPAC name of (ethylideneamino) hydrogen carbonate;pyridine?
The IUPAC name of (ethylideneamino) hydrogen carbonate;pyridine (CID 174441096) is (ethylideneamino) hydrogen carbonate;pyridine.
What is the SMILES notation for (ethylideneamino) hydrogen carbonate;pyridine?
The canonical SMILES for (ethylideneamino) hydrogen carbonate;pyridine is CC=NOC(=O)O.c1ccncc1.
What is the InChIKey of (ethylideneamino) hydrogen carbonate;pyridine?
The InChIKey is TZVLJGHOZLNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H5NO3/c1-2-4-6-5-3-1;1-2-4-7-3(5)6/h1-5H;2H,1H3,(H,5,6).
What are the key properties of (ethylideneamino) hydrogen carbonate;pyridine?
(ethylideneamino) hydrogen carbonate;pyridine has a molecular weight of 182.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino) hydrogen carbonate;pyridine is sourced from PubChem (CID 174441096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).