3-(1-phenylethyl)azete

C11H11N — CID 54172101

IUPAC3-(1-phenylethyl)azete
SMILESCC(C1=CN=C1)c1ccccc1
InChIInChI=1S/C11H11N/c1-9(11-7-12-8-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyOVSUEQONODKUBE-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.76
Rot. Bonds2

About 3-(1-phenylethyl)azete

3-(1-phenylethyl)azete (PubChem CID 54172101) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(1-phenylethyl)azete.

Molecular Properties

Compound Name3-(1-phenylethyl)azete
PubChem CID54172101
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-(1-phenylethyl)azete
SMILESCC(C1=CN=C1)c1ccccc1
InChIInChI=1S/C11H11N/c1-9(11-7-12-8-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyOVSUEQONODKUBE-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethylbenzene
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1-phenylethylbenzene
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1-phenylethylbenzene;stibane
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ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;1-phenylethylbenzene
CID 143105414
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethanamine;1-phenylethylbenzene
CID 19985218
6-(1-phenylethyl)phenanthridine
CID 154722213
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
3-[(1R)-1-phenylethyl]pyridine
CID 13287121

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)azete?
The IUPAC name of 3-(1-phenylethyl)azete (CID 54172101) is 3-(1-phenylethyl)azete.
What is the SMILES notation for 3-(1-phenylethyl)azete?
The canonical SMILES for 3-(1-phenylethyl)azete is CC(C1=CN=C1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethyl)azete?
The InChIKey is OVSUEQONODKUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9(11-7-12-8-11)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-(1-phenylethyl)azete?
3-(1-phenylethyl)azete has a molecular weight of 157.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)azete is sourced from PubChem (CID 54172101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).