CID 59900877

C4H8NO — CID 59900877

IUPAC—
SMILESC[CH]C(=O)NC
InChIInChI=1S/C4H8NO/c1-3-4(6)5-2/h3H,1-2H3,(H,5,6)
InChIKeyBSTQFFNIYBSGEL-UHFFFAOYSA-N
MW86.11 g/mol
LogP-0.04
Rot. Bonds1

About CID 59900877

CID 59900877 (PubChem CID 59900877) has the molecular formula C4H8NO and a molecular weight of 86.11 g/mol.

Molecular Properties

Compound NameCID 59900877
PubChem CID59900877
Molecular FormulaC4H8NO
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name—
SMILESC[CH]C(=O)NC
InChIInChI=1S/C4H8NO/c1-3-4(6)5-2/h3H,1-2H3,(H,5,6)
InChIKeyBSTQFFNIYBSGEL-UHFFFAOYSA-N
XLogP-0.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59900877?
The IUPAC name of CID 59900877 (CID 59900877) is not available.
What is the SMILES notation for CID 59900877?
The canonical SMILES for CID 59900877 is C[CH]C(=O)NC.
What is the InChIKey of CID 59900877?
The InChIKey is BSTQFFNIYBSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO/c1-3-4(6)5-2/h3H,1-2H3,(H,5,6).
What are the key properties of CID 59900877?
CID 59900877 has a molecular weight of 86.11 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59900877 is sourced from PubChem (CID 59900877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).