azane;bis(propan-2-one);bis(prop-1-ene);dihydrate

C12H34N2O4 — CID 157292140

IUPACazane;bis(propan-2-one);bis(prop-1-ene);dihydrate
SMILESC=CC.C=CC.CC(C)=O.CC(C)=O.N.N.O.O
InChIInChI=1S/2C3H6O.2C3H6.2H3N.2H2O/c2*1-3(2)4;2*1-3-2;;;;/h2*1-2H3;2*3H,1H2,2H3;2*1H3;2*1H2
InChIKeyANSVLKNXXZOQGY-UHFFFAOYSA-N
MW270.41 g/mol
LogP2.25
Rot. Bonds

About azane;bis(propan-2-one);bis(prop-1-ene);dihydrate

azane;bis(propan-2-one);bis(prop-1-ene);dihydrate (PubChem CID 157292140) has the molecular formula C12H34N2O4 and a molecular weight of 270.41 g/mol. Its IUPAC name is azane;bis(propan-2-one);bis(prop-1-ene);dihydrate.

Molecular Properties

Compound Nameazane;bis(propan-2-one);bis(prop-1-ene);dihydrate
PubChem CID157292140
Molecular FormulaC12H34N2O4
Molecular Weight270.41 g/mol
Exact Mass270.25
IUPAC Nameazane;bis(propan-2-one);bis(prop-1-ene);dihydrate
SMILESC=CC.C=CC.CC(C)=O.CC(C)=O.N.N.O.O
InChIInChI=1S/2C3H6O.2C3H6.2H3N.2H2O/c2*1-3(2)4;2*1-3-2;;;;/h2*1-2H3;2*3H,1H2,2H3;2*1H3;2*1H2
InChIKeyANSVLKNXXZOQGY-UHFFFAOYSA-N
XLogP2.25
TPSA167.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173323353
azane;tris(prop-1-ene)
CID 162019717
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CID 21257591
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Frequently Asked Questions

What is the IUPAC name of azane;bis(propan-2-one);bis(prop-1-ene);dihydrate?
The IUPAC name of azane;bis(propan-2-one);bis(prop-1-ene);dihydrate (CID 157292140) is azane;bis(propan-2-one);bis(prop-1-ene);dihydrate.
What is the SMILES notation for azane;bis(propan-2-one);bis(prop-1-ene);dihydrate?
The canonical SMILES for azane;bis(propan-2-one);bis(prop-1-ene);dihydrate is C=CC.C=CC.CC(C)=O.CC(C)=O.N.N.O.O.
What is the InChIKey of azane;bis(propan-2-one);bis(prop-1-ene);dihydrate?
The InChIKey is ANSVLKNXXZOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O.2C3H6.2H3N.2H2O/c2*1-3(2)4;2*1-3-2;;;;/h2*1-2H3;2*3H,1H2,2H3;2*1H3;2*1H2.
What are the key properties of azane;bis(propan-2-one);bis(prop-1-ene);dihydrate?
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate has a molecular weight of 270.41 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(propan-2-one);bis(prop-1-ene);dihydrate is sourced from PubChem (CID 157292140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).