CID 101204504

C4NO — CID 101204504

IUPAC—
SMILESN#Cc1[c]c1=O
InChIInChI=1S/C4NO/c5-2-3-1-4(3)6
InChIKeyJFEFLSFXLBSUPE-UHFFFAOYSA-N
MW78.05 g/mol
LogP-0.41
Rot. Bonds

About CID 101204504

CID 101204504 (PubChem CID 101204504) has the molecular formula C4NO and a molecular weight of 78.05 g/mol.

Molecular Properties

Compound NameCID 101204504
PubChem CID101204504
Molecular FormulaC4NO
Molecular Weight78.05 g/mol
Exact Mass78.00
IUPAC Name—
SMILESN#Cc1[c]c1=O
InChIInChI=1S/C4NO/c5-2-3-1-4(3)6
InChIKeyJFEFLSFXLBSUPE-UHFFFAOYSA-N
XLogP-0.41
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.05
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101204504?
The IUPAC name of CID 101204504 (CID 101204504) is not available.
What is the SMILES notation for CID 101204504?
The canonical SMILES for CID 101204504 is N#Cc1[c]c1=O.
What is the InChIKey of CID 101204504?
The InChIKey is JFEFLSFXLBSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4NO/c5-2-3-1-4(3)6.
What are the key properties of CID 101204504?
CID 101204504 has a molecular weight of 78.05 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101204504 is sourced from PubChem (CID 101204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).