azane;ethene;hydrate

C8H21NO — CID 173101950

IUPACazane;ethene;hydrate
SMILESC=C.C=C.C=C.C=C.N.O
InChIInChI=1S/4C2H4.H3N.H2O/c4*1-2;;/h4*1-2H2;1H3;1H2
InChIKeyNBPNLFQRKVSROV-UHFFFAOYSA-N
MW147.26 g/mol
LogP2.55
Rot. Bonds

About azane;ethene;hydrate

azane;ethene;hydrate (PubChem CID 173101950) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is azane;ethene;hydrate.

Molecular Properties

Compound Nameazane;ethene;hydrate
PubChem CID173101950
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Nameazane;ethene;hydrate
SMILESC=C.C=C.C=C.C=C.N.O
InChIInChI=1S/4C2H4.H3N.H2O/c4*1-2;;/h4*1-2H2;1H3;1H2
InChIKeyNBPNLFQRKVSROV-UHFFFAOYSA-N
XLogP2.55
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;ethene;hydrate?
The IUPAC name of azane;ethene;hydrate (CID 173101950) is azane;ethene;hydrate.
What is the SMILES notation for azane;ethene;hydrate?
The canonical SMILES for azane;ethene;hydrate is C=C.C=C.C=C.C=C.N.O.
What is the InChIKey of azane;ethene;hydrate?
The InChIKey is NBPNLFQRKVSROV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4.H3N.H2O/c4*1-2;;/h4*1-2H2;1H3;1H2.
What are the key properties of azane;ethene;hydrate?
azane;ethene;hydrate has a molecular weight of 147.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethene;hydrate is sourced from PubChem (CID 173101950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).