CID 10998045

C5H6N — CID 10998045

IUPAC—
SMILESNC1=CC=C[CH]1
InChIInChI=1S/C5H6N/c6-5-3-1-2-4-5/h1-4H,6H2
InChIKeyQJHIBKAIVKVRHG-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.60
Rot. Bonds

About CID 10998045

CID 10998045 (PubChem CID 10998045) has the molecular formula C5H6N and a molecular weight of 80.11 g/mol.

Molecular Properties

Compound NameCID 10998045
PubChem CID10998045
Molecular FormulaC5H6N
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name—
SMILESNC1=CC=C[CH]1
InChIInChI=1S/C5H6N/c6-5-3-1-2-4-5/h1-4H,6H2
InChIKeyQJHIBKAIVKVRHG-UHFFFAOYSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 10998045?
The IUPAC name of CID 10998045 (CID 10998045) is not available.
What is the SMILES notation for CID 10998045?
The canonical SMILES for CID 10998045 is NC1=CC=C[CH]1.
What is the InChIKey of CID 10998045?
The InChIKey is QJHIBKAIVKVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c6-5-3-1-2-4-5/h1-4H,6H2.
What are the key properties of CID 10998045?
CID 10998045 has a molecular weight of 80.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10998045 is sourced from PubChem (CID 10998045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).