CID 59972820

C12H21NO2 — CID 59972820

IUPAC—
SMILES[CH]C(CC)OCCN(C(C)=O)C([CH])CC
InChIInChI=1S/C12H21NO2/c1-6-10(3)13(12(5)14)8-9-15-11(4)7-2/h3-4,10-11H,6-9H2,1-2,5H3
InChIKeyITDWKQOBCULLJT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.83
Rot. Bonds7

About CID 59972820

CID 59972820 (PubChem CID 59972820) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol.

Molecular Properties

Compound NameCID 59972820
PubChem CID59972820
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name—
SMILES[CH]C(CC)OCCN(C(C)=O)C([CH])CC
InChIInChI=1S/C12H21NO2/c1-6-10(3)13(12(5)14)8-9-15-11(4)7-2/h3-4,10-11H,6-9H2,1-2,5H3
InChIKeyITDWKQOBCULLJT-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59972820?
The IUPAC name of CID 59972820 (CID 59972820) is not available.
What is the SMILES notation for CID 59972820?
The canonical SMILES for CID 59972820 is [CH]C(CC)OCCN(C(C)=O)C([CH])CC.
What is the InChIKey of CID 59972820?
The InChIKey is ITDWKQOBCULLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-10(3)13(12(5)14)8-9-15-11(4)7-2/h3-4,10-11H,6-9H2,1-2,5H3.
What are the key properties of CID 59972820?
CID 59972820 has a molecular weight of 211.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59972820 is sourced from PubChem (CID 59972820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).