CID 58581261

C12H22NO2 — CID 58581261

IUPAC—
SMILESCCC1(CC)CC(=O)C(CC)(CC)N1[O]
InChIInChI=1S/C12H22NO2/c1-5-11(6-2)9-10(14)12(7-3,8-4)13(11)15/h5-9H2,1-4H3
InChIKeyAGCDLOHWXSGHHE-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.72
Rot. Bonds4

About CID 58581261

CID 58581261 (PubChem CID 58581261) has the molecular formula C12H22NO2 and a molecular weight of 212.31 g/mol.

Molecular Properties

Compound NameCID 58581261
PubChem CID58581261
Molecular FormulaC12H22NO2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name—
SMILESCCC1(CC)CC(=O)C(CC)(CC)N1[O]
InChIInChI=1S/C12H22NO2/c1-5-11(6-2)9-10(14)12(7-3,8-4)13(11)15/h5-9H2,1-4H3
InChIKeyAGCDLOHWXSGHHE-UHFFFAOYSA-N
XLogP2.72
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58581261?
The IUPAC name of CID 58581261 (CID 58581261) is not available.
What is the SMILES notation for CID 58581261?
The canonical SMILES for CID 58581261 is CCC1(CC)CC(=O)C(CC)(CC)N1[O].
What is the InChIKey of CID 58581261?
The InChIKey is AGCDLOHWXSGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2/c1-5-11(6-2)9-10(14)12(7-3,8-4)13(11)15/h5-9H2,1-4H3.
What are the key properties of CID 58581261?
CID 58581261 has a molecular weight of 212.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58581261 is sourced from PubChem (CID 58581261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).