azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine

C16H33N3O6 — CID 175194025

IUPACazane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine
SMILESC=C.C=C.C=C.CC(C)OC(=O)O.N.N.O=C(O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H8O3.3C2H4.CH2O3.2H3N/c1-2-4-6-5-3-1;1-3(2)7-4(5)6;3*1-2;2-1(3)4;;/h1-5H;3H,1-2H3,(H,5,6);3*1-2H2;(H2,2,3,4);2*1H3
InChIKeyHUYFQDCMMVZUMD-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.12
Rot. Bonds1

About azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine

azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine (PubChem CID 175194025) has the molecular formula C16H33N3O6 and a molecular weight of 363.46 g/mol. Its IUPAC name is azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine.

Molecular Properties

Compound Nameazane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine
PubChem CID175194025
Molecular FormulaC16H33N3O6
Molecular Weight363.46 g/mol
Exact Mass363.24
IUPAC Nameazane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine
SMILESC=C.C=C.C=C.CC(C)OC(=O)O.N.N.O=C(O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H8O3.3C2H4.CH2O3.2H3N/c1-2-4-6-5-3-1;1-3(2)7-4(5)6;3*1-2;2-1(3)4;;/h1-5H;3H,1-2H3,(H,5,6);3*1-2H2;(H2,2,3,4);2*1H3
InChIKeyHUYFQDCMMVZUMD-UHFFFAOYSA-N
XLogP5.12
TPSA186.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;carbonic acid;ethene;propan-2-yl 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

carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
2-methylprop-1-ene;pyridine
CID 160671535
2-methylpropanoyl chloride;pyridine
CID 87837374
acetic acid;bis(pyridine);hydrate
CID 67804829
acetic acid;ethane;pyridine
CID 91392032
2-methylprop-1-ene;pyridine;hydrochloride
CID 173452236
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
arsane;ethene;pyridine
CID 174457532
acetyl bromide;pyridine
CID 87730061

Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine?
The IUPAC name of azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine (CID 175194025) is azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine.
What is the SMILES notation for azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine?
The canonical SMILES for azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine is C=C.C=C.C=C.CC(C)OC(=O)O.N.N.O=C(O)O.c1ccncc1.
What is the InChIKey of azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine?
The InChIKey is HUYFQDCMMVZUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H8O3.3C2H4.CH2O3.2H3N/c1-2-4-6-5-3-1;1-3(2)7-4(5)6;3*1-2;2-1(3)4;;/h1-5H;3H,1-2H3,(H,5,6);3*1-2H2;(H2,2,3,4);2*1H3.
What are the key properties of azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine?
azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine has a molecular weight of 363.46 g/mol, XLogP of 5.12, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine is sourced from PubChem (CID 175194025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).