1-methyl-7-phenylazocan-2-one

C14H19NO — CID 165415866

IUPAC1-methyl-7-phenylazocan-2-one
SMILESCN1CC(c2ccccc2)CCCCC1=O
InChIInChI=1S/C14H19NO/c1-15-11-13(9-5-6-10-14(15)16)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyHFLSRTGUIBQNTD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds1

About 1-methyl-7-phenylazocan-2-one

1-methyl-7-phenylazocan-2-one (PubChem CID 165415866) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-methyl-7-phenylazocan-2-one.

Molecular Properties

Compound Name1-methyl-7-phenylazocan-2-one
PubChem CID165415866
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-methyl-7-phenylazocan-2-one
SMILESCN1CC(c2ccccc2)CCCCC1=O
InChIInChI=1S/C14H19NO/c1-15-11-13(9-5-6-10-14(15)16)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyHFLSRTGUIBQNTD-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenylazocan-2-one?
The IUPAC name of 1-methyl-7-phenylazocan-2-one (CID 165415866) is 1-methyl-7-phenylazocan-2-one.
What is the SMILES notation for 1-methyl-7-phenylazocan-2-one?
The canonical SMILES for 1-methyl-7-phenylazocan-2-one is CN1CC(c2ccccc2)CCCCC1=O.
What is the InChIKey of 1-methyl-7-phenylazocan-2-one?
The InChIKey is HFLSRTGUIBQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-11-13(9-5-6-10-14(15)16)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of 1-methyl-7-phenylazocan-2-one?
1-methyl-7-phenylazocan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenylazocan-2-one is sourced from PubChem (CID 165415866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).