CID 102411594

C12H16NO — CID 102411594

IUPAC—
SMILESCC1(C)CCC(c2ccccc2)N1[O]
InChIInChI=1S/C12H16NO/c1-12(2)9-8-11(13(12)14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyRHENHOCTXMLXFP-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.95
Rot. Bonds1

About CID 102411594

CID 102411594 (PubChem CID 102411594) has the molecular formula C12H16NO and a molecular weight of 190.27 g/mol.

Molecular Properties

Compound NameCID 102411594
PubChem CID102411594
Molecular FormulaC12H16NO
Molecular Weight190.27 g/mol
Exact Mass190.12
IUPAC Name—
SMILESCC1(C)CCC(c2ccccc2)N1[O]
InChIInChI=1S/C12H16NO/c1-12(2)9-8-11(13(12)14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyRHENHOCTXMLXFP-UHFFFAOYSA-N
XLogP2.95
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102411594?
The IUPAC name of CID 102411594 (CID 102411594) is not available.
What is the SMILES notation for CID 102411594?
The canonical SMILES for CID 102411594 is CC1(C)CCC(c2ccccc2)N1[O].
What is the InChIKey of CID 102411594?
The InChIKey is RHENHOCTXMLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO/c1-12(2)9-8-11(13(12)14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of CID 102411594?
CID 102411594 has a molecular weight of 190.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102411594 is sourced from PubChem (CID 102411594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).