CID 135062679

C17H24NO2 — CID 135062679

IUPAC—
SMILESCC1(C)CC(O/C=C/c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C17H24NO2/c1-16(2)12-15(13-17(3,4)18(16)19)20-11-10-14-8-6-5-7-9-14/h5-11,15H,12-13H2,1-4H3/b11-10+
InChIKeyCFCDGGVVUSUTRG-ZHACJKMWSA-N
MW274.38 g/mol
LogP4.04
Rot. Bonds3

About CID 135062679

CID 135062679 (PubChem CID 135062679) has the molecular formula C17H24NO2 and a molecular weight of 274.38 g/mol.

Molecular Properties

Compound NameCID 135062679
PubChem CID135062679
Molecular FormulaC17H24NO2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name—
SMILESCC1(C)CC(O/C=C/c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C17H24NO2/c1-16(2)12-15(13-17(3,4)18(16)19)20-11-10-14-8-6-5-7-9-14/h5-11,15H,12-13H2,1-4H3/b11-10+
InChIKeyCFCDGGVVUSUTRG-ZHACJKMWSA-N
XLogP4.04
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135062679?
The IUPAC name of CID 135062679 (CID 135062679) is not available.
What is the SMILES notation for CID 135062679?
The canonical SMILES for CID 135062679 is CC1(C)CC(O/C=C/c2ccccc2)CC(C)(C)N1[O].
What is the InChIKey of CID 135062679?
The InChIKey is CFCDGGVVUSUTRG-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H24NO2/c1-16(2)12-15(13-17(3,4)18(16)19)20-11-10-14-8-6-5-7-9-14/h5-11,15H,12-13H2,1-4H3/b11-10+.
What are the key properties of CID 135062679?
CID 135062679 has a molecular weight of 274.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135062679 is sourced from PubChem (CID 135062679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).