CID 176569961

C15H24NO2 — CID 176569961

IUPAC—
SMILESCO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1
InChIInChI=1S/C15H24NO2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12/h9,12,16H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyQAQNYQOJQQDQBE-GFCCVEGCSA-N
MW250.36 g/mol
LogP2.80
Rot. Bonds4

About CID 176569961

CID 176569961 (PubChem CID 176569961) has the molecular formula C15H24NO2 and a molecular weight of 250.36 g/mol.

Molecular Properties

Compound NameCID 176569961
PubChem CID176569961
Molecular FormulaC15H24NO2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name—
SMILESCO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1
InChIInChI=1S/C15H24NO2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12/h9,12,16H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyQAQNYQOJQQDQBE-GFCCVEGCSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 176569961?
The IUPAC name of CID 176569961 (CID 176569961) is not available.
What is the SMILES notation for CID 176569961?
The canonical SMILES for CID 176569961 is CO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1.
What is the InChIKey of CID 176569961?
The InChIKey is QAQNYQOJQQDQBE-GFCCVEGCSA-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/h9,12,16H,4-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of CID 176569961?
CID 176569961 has a molecular weight of 250.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569961 is sourced from PubChem (CID 176569961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).