CID 58178672

C12H24NO2 — CID 58178672

IUPAC—
SMILESCC(C)OCC1CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C12H24NO2/c1-9(2)15-8-10-7-11(3,4)13(14)12(10,5)6/h9-10H,7-8H2,1-6H3
InChIKeyWBJRSQNBIZKPPO-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.64
Rot. Bonds3

About CID 58178672

CID 58178672 (PubChem CID 58178672) has the molecular formula C12H24NO2 and a molecular weight of 214.33 g/mol.

Molecular Properties

Compound NameCID 58178672
PubChem CID58178672
Molecular FormulaC12H24NO2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name—
SMILESCC(C)OCC1CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C12H24NO2/c1-9(2)15-8-10-7-11(3,4)13(14)12(10,5)6/h9-10H,7-8H2,1-6H3
InChIKeyWBJRSQNBIZKPPO-UHFFFAOYSA-N
XLogP2.64
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58178672?
The IUPAC name of CID 58178672 (CID 58178672) is not available.
What is the SMILES notation for CID 58178672?
The canonical SMILES for CID 58178672 is CC(C)OCC1CC(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 58178672?
The InChIKey is WBJRSQNBIZKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-9(2)15-8-10-7-11(3,4)13(14)12(10,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of CID 58178672?
CID 58178672 has a molecular weight of 214.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58178672 is sourced from PubChem (CID 58178672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).