CID 59968306

C11H17NO2 — CID 59968306

IUPAC—
SMILES[CH]C1CC(=O)N(CCCCCC)C1=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2,9H,3-8H2,1H3
InChIKeyMYGJTHYMQXMQSB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.65
Rot. Bonds5

About CID 59968306

CID 59968306 (PubChem CID 59968306) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol.

Molecular Properties

Compound NameCID 59968306
PubChem CID59968306
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name—
SMILES[CH]C1CC(=O)N(CCCCCC)C1=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2,9H,3-8H2,1H3
InChIKeyMYGJTHYMQXMQSB-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59968306?
The IUPAC name of CID 59968306 (CID 59968306) is not available.
What is the SMILES notation for CID 59968306?
The canonical SMILES for CID 59968306 is [CH]C1CC(=O)N(CCCCCC)C1=O.
What is the InChIKey of CID 59968306?
The InChIKey is MYGJTHYMQXMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2,9H,3-8H2,1H3.
What are the key properties of CID 59968306?
CID 59968306 has a molecular weight of 195.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59968306 is sourced from PubChem (CID 59968306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).