CID 59418394

C12H17NO — CID 59418394

IUPAC—
SMILES[CH]CC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C12H17NO/c1-2-11-3-6-13(7-4-11)9-12-5-8-14-10-12/h1,5,8,10-11H,2-4,6-7,9H2
InChIKeyVSLSHWULJVXRAH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.59
Rot. Bonds3

About CID 59418394

CID 59418394 (PubChem CID 59418394) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol.

Molecular Properties

Compound NameCID 59418394
PubChem CID59418394
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name—
SMILES[CH]CC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C12H17NO/c1-2-11-3-6-13(7-4-11)9-12-5-8-14-10-12/h1,5,8,10-11H,2-4,6-7,9H2
InChIKeyVSLSHWULJVXRAH-UHFFFAOYSA-N
XLogP2.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59418394?
The IUPAC name of CID 59418394 (CID 59418394) is not available.
What is the SMILES notation for CID 59418394?
The canonical SMILES for CID 59418394 is [CH]CC1CCN(Cc2ccoc2)CC1.
What is the InChIKey of CID 59418394?
The InChIKey is VSLSHWULJVXRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11-3-6-13(7-4-11)9-12-5-8-14-10-12/h1,5,8,10-11H,2-4,6-7,9H2.
What are the key properties of CID 59418394?
CID 59418394 has a molecular weight of 191.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59418394 is sourced from PubChem (CID 59418394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).