CID 154707172

C6H10NO — CID 154707172

IUPAC—
SMILESC[CH]ON=C1CCC1
InChIInChI=1S/C6H10NO/c1-2-8-7-6-4-3-5-6/h2H,3-5H2,1H3
InChIKeyNQPUWNYNOLPPME-UHFFFAOYSA-N
MW112.15 g/mol
LogP1.72
Rot. Bonds2

About CID 154707172

CID 154707172 (PubChem CID 154707172) has the molecular formula C6H10NO and a molecular weight of 112.15 g/mol.

Molecular Properties

Compound NameCID 154707172
PubChem CID154707172
Molecular FormulaC6H10NO
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name—
SMILESC[CH]ON=C1CCC1
InChIInChI=1S/C6H10NO/c1-2-8-7-6-4-3-5-6/h2H,3-5H2,1H3
InChIKeyNQPUWNYNOLPPME-UHFFFAOYSA-N
XLogP1.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154707172?
The IUPAC name of CID 154707172 (CID 154707172) is not available.
What is the SMILES notation for CID 154707172?
The canonical SMILES for CID 154707172 is C[CH]ON=C1CCC1.
What is the InChIKey of CID 154707172?
The InChIKey is NQPUWNYNOLPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO/c1-2-8-7-6-4-3-5-6/h2H,3-5H2,1H3.
What are the key properties of CID 154707172?
CID 154707172 has a molecular weight of 112.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154707172 is sourced from PubChem (CID 154707172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).