CID 11566852

C13H16NO — CID 11566852

IUPAC—
SMILESC/C=C1\C(=O)N(C)[C@@H](C)C12[CH][CH][CH][CH][CH]2
InChIInChI=1S/C13H16NO/c1-4-11-12(15)14(3)10(2)13(11)8-6-5-7-9-13/h4-10H,1-3H3/b11-4+/t10-/m0/s1
InChIKeyAFYWDNOBSKXKAX-KRPLZJQNSA-N
MW202.28 g/mol
LogP1.81
Rot. Bonds

About CID 11566852

CID 11566852 (PubChem CID 11566852) has the molecular formula C13H16NO and a molecular weight of 202.28 g/mol.

Molecular Properties

Compound NameCID 11566852
PubChem CID11566852
Molecular FormulaC13H16NO
Molecular Weight202.28 g/mol
Exact Mass202.12
IUPAC Name—
SMILESC/C=C1\C(=O)N(C)[C@@H](C)C12[CH][CH][CH][CH][CH]2
InChIInChI=1S/C13H16NO/c1-4-11-12(15)14(3)10(2)13(11)8-6-5-7-9-13/h4-10H,1-3H3/b11-4+/t10-/m0/s1
InChIKeyAFYWDNOBSKXKAX-KRPLZJQNSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11566852?
The IUPAC name of CID 11566852 (CID 11566852) is not available.
What is the SMILES notation for CID 11566852?
The canonical SMILES for CID 11566852 is C/C=C1\C(=O)N(C)[C@@H](C)C12[CH][CH][CH][CH][CH]2.
What is the InChIKey of CID 11566852?
The InChIKey is AFYWDNOBSKXKAX-KRPLZJQNSA-N. The full InChI is InChI=1S/C13H16NO/c1-4-11-12(15)14(3)10(2)13(11)8-6-5-7-9-13/h4-10H,1-3H3/b11-4+/t10-/m0/s1.
What are the key properties of CID 11566852?
CID 11566852 has a molecular weight of 202.28 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11566852 is sourced from PubChem (CID 11566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).