CID 101386755

C4H6NO2 — CID 101386755

IUPAC—
SMILESC[C]1NCC(=O)O1
InChIInChI=1S/C4H6NO2/c1-3-5-2-4(6)7-3/h5H,2H2,1H3
InChIKeyZZUQTHXEFXTQNA-UHFFFAOYSA-N
MW100.10 g/mol
LogP-0.36
Rot. Bonds

About CID 101386755

CID 101386755 (PubChem CID 101386755) has the molecular formula C4H6NO2 and a molecular weight of 100.10 g/mol.

Molecular Properties

Compound NameCID 101386755
PubChem CID101386755
Molecular FormulaC4H6NO2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name—
SMILESC[C]1NCC(=O)O1
InChIInChI=1S/C4H6NO2/c1-3-5-2-4(6)7-3/h5H,2H2,1H3
InChIKeyZZUQTHXEFXTQNA-UHFFFAOYSA-N
XLogP-0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 101386755?
The IUPAC name of CID 101386755 (CID 101386755) is not available.
What is the SMILES notation for CID 101386755?
The canonical SMILES for CID 101386755 is C[C]1NCC(=O)O1.
What is the InChIKey of CID 101386755?
The InChIKey is ZZUQTHXEFXTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2/c1-3-5-2-4(6)7-3/h5H,2H2,1H3.
What are the key properties of CID 101386755?
CID 101386755 has a molecular weight of 100.10 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101386755 is sourced from PubChem (CID 101386755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).