CID 102587061

C6H10NO — CID 102587061

IUPAC—
SMILESC=C[CH]CCC(N)=O
InChIInChI=1S/C6H10NO/c1-2-3-4-5-6(7)8/h2-3H,1,4-5H2,(H2,7,8)
InChIKeyPQPZPSZKZAGJRP-UHFFFAOYSA-N
MW112.15 g/mol
LogP0.64
Rot. Bonds4

About CID 102587061

CID 102587061 (PubChem CID 102587061) has the molecular formula C6H10NO and a molecular weight of 112.15 g/mol.

Molecular Properties

Compound NameCID 102587061
PubChem CID102587061
Molecular FormulaC6H10NO
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name—
SMILESC=C[CH]CCC(N)=O
InChIInChI=1S/C6H10NO/c1-2-3-4-5-6(7)8/h2-3H,1,4-5H2,(H2,7,8)
InChIKeyPQPZPSZKZAGJRP-UHFFFAOYSA-N
XLogP0.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102587061?
The IUPAC name of CID 102587061 (CID 102587061) is not available.
What is the SMILES notation for CID 102587061?
The canonical SMILES for CID 102587061 is C=C[CH]CCC(N)=O.
What is the InChIKey of CID 102587061?
The InChIKey is PQPZPSZKZAGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO/c1-2-3-4-5-6(7)8/h2-3H,1,4-5H2,(H2,7,8).
What are the key properties of CID 102587061?
CID 102587061 has a molecular weight of 112.15 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102587061 is sourced from PubChem (CID 102587061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).