CID 87523846

C4H10NO2P — CID 87523846

IUPAC—
SMILESCC(C)(N)CP(=O)=O
InChIInChI=1S/C4H10NO2P/c1-4(2,5)3-8(6)7/h3,5H2,1-2H3
InChIKeyULADBILNQOIGBP-UHFFFAOYSA-N
MW135.10 g/mol
LogP0.90
Rot. Bonds2

About CID 87523846

CID 87523846 (PubChem CID 87523846) has the molecular formula C4H10NO2P and a molecular weight of 135.10 g/mol.

Molecular Properties

Compound NameCID 87523846
PubChem CID87523846
Molecular FormulaC4H10NO2P
Molecular Weight135.10 g/mol
Exact Mass135.04
IUPAC Name—
SMILESCC(C)(N)CP(=O)=O
InChIInChI=1S/C4H10NO2P/c1-4(2,5)3-8(6)7/h3,5H2,1-2H3
InChIKeyULADBILNQOIGBP-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.10
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87523846?
The IUPAC name of CID 87523846 (CID 87523846) is not available.
What is the SMILES notation for CID 87523846?
The canonical SMILES for CID 87523846 is CC(C)(N)CP(=O)=O.
What is the InChIKey of CID 87523846?
The InChIKey is ULADBILNQOIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2P/c1-4(2,5)3-8(6)7/h3,5H2,1-2H3.
What are the key properties of CID 87523846?
CID 87523846 has a molecular weight of 135.10 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87523846 is sourced from PubChem (CID 87523846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).