azane;carbonic acid;ethene

C3H9NO3 — CID 87842483

IUPACazane;carbonic acid;ethene
SMILESC=C.N.O=C(O)O
InChIInChI=1S/C2H4.CH2O3.H3N/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H3
InChIKeyNPRIMKFDVIAFQD-UHFFFAOYSA-N
MW107.11 g/mol
LogP1.19
Rot. Bonds

About azane;carbonic acid;ethene

azane;carbonic acid;ethene (PubChem CID 87842483) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is azane;carbonic acid;ethene.

Molecular Properties

Compound Nameazane;carbonic acid;ethene
PubChem CID87842483
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Nameazane;carbonic acid;ethene
SMILESC=C.N.O=C(O)O
InChIInChI=1S/C2H4.CH2O3.H3N/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H3
InChIKeyNPRIMKFDVIAFQD-UHFFFAOYSA-N
XLogP1.19
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;ethene?
The IUPAC name of azane;carbonic acid;ethene (CID 87842483) is azane;carbonic acid;ethene.
What is the SMILES notation for azane;carbonic acid;ethene?
The canonical SMILES for azane;carbonic acid;ethene is C=C.N.O=C(O)O.
What is the InChIKey of azane;carbonic acid;ethene?
The InChIKey is NPRIMKFDVIAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.CH2O3.H3N/c1-2;2-1(3)4;/h1-2H2;(H2,2,3,4);1H3.
What are the key properties of azane;carbonic acid;ethene?
azane;carbonic acid;ethene has a molecular weight of 107.11 g/mol, XLogP of 1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;ethene is sourced from PubChem (CID 87842483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).