methylcarbamic acid;triphenylphosphane

C20H20NO2P — CID 158265840

IUPACmethylcarbamic acid;triphenylphosphane
SMILESCNC(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H5NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2(4)5/h1-15H;3H,1H3,(H,4,5)
InChIKeyGIKVCQDLMPBEDC-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.33
Rot. Bonds3

About methylcarbamic acid;triphenylphosphane

methylcarbamic acid;triphenylphosphane (PubChem CID 158265840) has the molecular formula C20H20NO2P and a molecular weight of 337.36 g/mol. Its IUPAC name is methylcarbamic acid;triphenylphosphane.

Molecular Properties

Compound Namemethylcarbamic acid;triphenylphosphane
PubChem CID158265840
Molecular FormulaC20H20NO2P
Molecular Weight337.36 g/mol
Exact Mass337.12
IUPAC Namemethylcarbamic acid;triphenylphosphane
SMILESCNC(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H5NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2(4)5/h1-15H;3H,1H3,(H,4,5)
InChIKeyGIKVCQDLMPBEDC-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylcarbamic acid;triphenylphosphane?
The IUPAC name of methylcarbamic acid;triphenylphosphane (CID 158265840) is methylcarbamic acid;triphenylphosphane.
What is the SMILES notation for methylcarbamic acid;triphenylphosphane?
The canonical SMILES for methylcarbamic acid;triphenylphosphane is CNC(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methylcarbamic acid;triphenylphosphane?
The InChIKey is GIKVCQDLMPBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2H5NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2(4)5/h1-15H;3H,1H3,(H,4,5).
What are the key properties of methylcarbamic acid;triphenylphosphane?
methylcarbamic acid;triphenylphosphane has a molecular weight of 337.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamic acid;triphenylphosphane is sourced from PubChem (CID 158265840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).