CID 176570021

C15H26NO2 — CID 176570021

IUPAC—
SMILESCOC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C.[H][H]
InChIInChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h7,9,11-12,16H,4-6,8,10H2,1-3H3;1H/t11?,12-;/m1./s1
InChIKeyPQJONEROFYDBPA-ALGPSANZSA-N
MW252.38 g/mol
LogP2.91
Rot. Bonds4

About CID 176570021

CID 176570021 (PubChem CID 176570021) has the molecular formula C15H26NO2 and a molecular weight of 252.38 g/mol.

Molecular Properties

Compound NameCID 176570021
PubChem CID176570021
Molecular FormulaC15H26NO2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name—
SMILESCOC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C.[H][H]
InChIInChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h7,9,11-12,16H,4-6,8,10H2,1-3H3;1H/t11?,12-;/m1./s1
InChIKeyPQJONEROFYDBPA-ALGPSANZSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 176570021?
The IUPAC name of CID 176570021 (CID 176570021) is not available.
What is the SMILES notation for CID 176570021?
The canonical SMILES for CID 176570021 is COC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C.[H][H].
What is the InChIKey of CID 176570021?
The InChIKey is PQJONEROFYDBPA-ALGPSANZSA-N. The full InChI is InChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h7,9,11-12,16H,4-6,8,10H2,1-3H3;1H/t11?,12-;/m1./s1.
What are the key properties of CID 176570021?
CID 176570021 has a molecular weight of 252.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176570021 is sourced from PubChem (CID 176570021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).