CID 59960468

C4H9NO2P — CID 59960468

IUPAC—
SMILESCN([O])C(C)(C)P=O
InChIInChI=1S/C4H9NO2P/c1-4(2,8-7)5(3)6/h1-3H3
InChIKeySELHRSIGJZKEBZ-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.29
Rot. Bonds2

About CID 59960468

CID 59960468 (PubChem CID 59960468) has the molecular formula C4H9NO2P and a molecular weight of 134.09 g/mol.

Molecular Properties

Compound NameCID 59960468
PubChem CID59960468
Molecular FormulaC4H9NO2P
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name—
SMILESCN([O])C(C)(C)P=O
InChIInChI=1S/C4H9NO2P/c1-4(2,8-7)5(3)6/h1-3H3
InChIKeySELHRSIGJZKEBZ-UHFFFAOYSA-N
XLogP1.29
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59960468?
The IUPAC name of CID 59960468 (CID 59960468) is not available.
What is the SMILES notation for CID 59960468?
The canonical SMILES for CID 59960468 is CN([O])C(C)(C)P=O.
What is the InChIKey of CID 59960468?
The InChIKey is SELHRSIGJZKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2P/c1-4(2,8-7)5(3)6/h1-3H3.
What are the key properties of CID 59960468?
CID 59960468 has a molecular weight of 134.09 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59960468 is sourced from PubChem (CID 59960468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).