CID 134841906

C15H23N2O — CID 134841906

IUPAC—
SMILESCN1[C]2CCCCC2[C@@](C)(CC(C)(C)C#N)C1=O
InChIInChI=1S/C15H23N2O/c1-14(2,10-16)9-15(3)11-7-5-6-8-12(11)17(4)13(15)18/h11H,5-9H2,1-4H3/t11?,15-/m1/s1
InChIKeyDXLBAPOENFQZDF-JOPIAHFSSA-N
MW247.36 g/mol
LogP3.13
Rot. Bonds2

About CID 134841906

CID 134841906 (PubChem CID 134841906) has the molecular formula C15H23N2O and a molecular weight of 247.36 g/mol.

Molecular Properties

Compound NameCID 134841906
PubChem CID134841906
Molecular FormulaC15H23N2O
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Name—
SMILESCN1[C]2CCCCC2[C@@](C)(CC(C)(C)C#N)C1=O
InChIInChI=1S/C15H23N2O/c1-14(2,10-16)9-15(3)11-7-5-6-8-12(11)17(4)13(15)18/h11H,5-9H2,1-4H3/t11?,15-/m1/s1
InChIKeyDXLBAPOENFQZDF-JOPIAHFSSA-N
XLogP3.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134841906?
The IUPAC name of CID 134841906 (CID 134841906) is not available.
What is the SMILES notation for CID 134841906?
The canonical SMILES for CID 134841906 is CN1[C]2CCCCC2[C@@](C)(CC(C)(C)C#N)C1=O.
What is the InChIKey of CID 134841906?
The InChIKey is DXLBAPOENFQZDF-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H23N2O/c1-14(2,10-16)9-15(3)11-7-5-6-8-12(11)17(4)13(15)18/h11H,5-9H2,1-4H3/t11?,15-/m1/s1.
What are the key properties of CID 134841906?
CID 134841906 has a molecular weight of 247.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134841906 is sourced from PubChem (CID 134841906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).