CID 134858194

C12H20NO — CID 134858194

IUPAC—
SMILESCC(C)=CCCC/C=N/CCC[C]=O
InChIInChI=1S/C12H20NO/c1-12(2)8-4-3-5-9-13-10-6-7-11-14/h8-9H,3-7,10H2,1-2H3/b13-9+
InChIKeyYIPYYAAIOQDIOA-UKTHLTGXSA-N
MW194.30 g/mol
LogP3.08
Rot. Bonds8

About CID 134858194

CID 134858194 (PubChem CID 134858194) has the molecular formula C12H20NO and a molecular weight of 194.30 g/mol.

Molecular Properties

Compound NameCID 134858194
PubChem CID134858194
Molecular FormulaC12H20NO
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name—
SMILESCC(C)=CCCC/C=N/CCC[C]=O
InChIInChI=1S/C12H20NO/c1-12(2)8-4-3-5-9-13-10-6-7-11-14/h8-9H,3-7,10H2,1-2H3/b13-9+
InChIKeyYIPYYAAIOQDIOA-UKTHLTGXSA-N
XLogP3.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134858194?
The IUPAC name of CID 134858194 (CID 134858194) is not available.
What is the SMILES notation for CID 134858194?
The canonical SMILES for CID 134858194 is CC(C)=CCCC/C=N/CCC[C]=O.
What is the InChIKey of CID 134858194?
The InChIKey is YIPYYAAIOQDIOA-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H20NO/c1-12(2)8-4-3-5-9-13-10-6-7-11-14/h8-9H,3-7,10H2,1-2H3/b13-9+.
What are the key properties of CID 134858194?
CID 134858194 has a molecular weight of 194.30 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134858194 is sourced from PubChem (CID 134858194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).