CID 176570022

C15H24NO2 — CID 176570022

IUPAC—
SMILESCOC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C
InChIInChI=1S/C15H24NO2/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/t11?,12-/m1/s1
InChIKeyAHODLRCMZOBYBT-PIJUOVFKSA-N
MW250.36 g/mol
LogP2.66
Rot. Bonds4

About CID 176570022

CID 176570022 (PubChem CID 176570022) has the molecular formula C15H24NO2 and a molecular weight of 250.36 g/mol.

Molecular Properties

Compound NameCID 176570022
PubChem CID176570022
Molecular FormulaC15H24NO2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name—
SMILESCOC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C
InChIInChI=1S/C15H24NO2/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/t11?,12-/m1/s1
InChIKeyAHODLRCMZOBYBT-PIJUOVFKSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 176570022?
The IUPAC name of CID 176570022 (CID 176570022) is not available.
What is the SMILES notation for CID 176570022?
The canonical SMILES for CID 176570022 is COC1=CC(C[C@H]2CCCNC2)=C(OC)[CH]C1C.
What is the InChIKey of CID 176570022?
The InChIKey is AHODLRCMZOBYBT-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H24NO2/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/t11?,12-/m1/s1.
What are the key properties of CID 176570022?
CID 176570022 has a molecular weight of 250.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176570022 is sourced from PubChem (CID 176570022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).