CID 159688873

C12H30N3OP — CID 159688873

IUPAC—
SMILESC=C.C=C.C=C.C=C.C=C.C=C.NP(N)(N)=O
InChIInChI=1S/6C2H4.H6N3OP/c6*1-2;1-5(2,3)4/h6*1-2H2;(H6,1,2,3,4)
InChIKeyMWDRTKJYAGTGLU-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.78
Rot. Bonds

About CID 159688873

CID 159688873 (PubChem CID 159688873) has the molecular formula C12H30N3OP and a molecular weight of 263.37 g/mol.

Molecular Properties

Compound NameCID 159688873
PubChem CID159688873
Molecular FormulaC12H30N3OP
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name—
SMILESC=C.C=C.C=C.C=C.C=C.C=C.NP(N)(N)=O
InChIInChI=1S/6C2H4.H6N3OP/c6*1-2;1-5(2,3)4/h6*1-2H2;(H6,1,2,3,4)
InChIKeyMWDRTKJYAGTGLU-UHFFFAOYSA-N
XLogP3.78
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159233079
CID 159233079
CID 159146394
CID 159146394
CID 162132831
CID 162132831
amino(methyl)phosphinate
CID 18377257
[amino(methyl)phosphoryl]methane;formonitrile
CID 174424309
aminophosphonic acid;methylphosphonic acid
CID 87311898
CID 172736245
CID 172736245
dimethylphosphinic acid;ethene
CID 159258868
CID 18448990
CID 18448990
trilithium;ethene;phosphate
CID 172694198
aminophosphonic acid;rhenium
CID 174387588
[amino(methyl)phosphoryl]formamide
CID 163796895

Frequently Asked Questions

What is the IUPAC name of CID 159688873?
The IUPAC name of CID 159688873 (CID 159688873) is not available.
What is the SMILES notation for CID 159688873?
The canonical SMILES for CID 159688873 is C=C.C=C.C=C.C=C.C=C.C=C.NP(N)(N)=O.
What is the InChIKey of CID 159688873?
The InChIKey is MWDRTKJYAGTGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C2H4.H6N3OP/c6*1-2;1-5(2,3)4/h6*1-2H2;(H6,1,2,3,4).
What are the key properties of CID 159688873?
CID 159688873 has a molecular weight of 263.37 g/mol, XLogP of 3.78, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159688873 is sourced from PubChem (CID 159688873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).