CID 20612499

C4H11BNOP2W- — CID 20612499

IUPAC—
SMILESCCC(=O)[CH-]NP.[B]P.[W]
InChIInChI=1S/C4H9NOP.BH2P.W/c1-2-4(6)3-5-7;1-2;/h3,5H,2,7H2,1H3;2H2;/q-1;;
InChIKeyAGVDCFJHDLPHGO-UHFFFAOYSA-N
MW345.74 g/mol
LogP0.45
Rot. Bonds3

About CID 20612499

CID 20612499 (PubChem CID 20612499) has the molecular formula C4H11BNOP2W- and a molecular weight of 345.74 g/mol.

Molecular Properties

Compound NameCID 20612499
PubChem CID20612499
Molecular FormulaC4H11BNOP2W-
Molecular Weight345.74 g/mol
Exact Mass345.99
IUPAC Name—
SMILESCCC(=O)[CH-]NP.[B]P.[W]
InChIInChI=1S/C4H9NOP.BH2P.W/c1-2-4(6)3-5-7;1-2;/h3,5H,2,7H2,1H3;2H2;/q-1;;
InChIKeyAGVDCFJHDLPHGO-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

pentan-3-one;yttrium
CID 59118360
1-aminobutan-2-one;rhenium
CID 163779097
methane;bis(pentan-3-one);bis(yttrium)
CID 159667627
CID 22966943
CID 22966943
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
propanoylazanide;rhenium
CID 155738125
CID 91279808
CID 91279808
propanoylazanide;terbium
CID 87733226
propanoyl (113C)propanoate
CID 91179573
CID 45052167
CID 45052167
S-(methylamino) propanethioate
CID 123915955

Frequently Asked Questions

What is the IUPAC name of CID 20612499?
The IUPAC name of CID 20612499 (CID 20612499) is not available.
What is the SMILES notation for CID 20612499?
The canonical SMILES for CID 20612499 is CCC(=O)[CH-]NP.[B]P.[W].
What is the InChIKey of CID 20612499?
The InChIKey is AGVDCFJHDLPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOP.BH2P.W/c1-2-4(6)3-5-7;1-2;/h3,5H,2,7H2,1H3;2H2;/q-1;;.
What are the key properties of CID 20612499?
CID 20612499 has a molecular weight of 345.74 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20612499 is sourced from PubChem (CID 20612499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).