4-phenyl-1,5-diazecan-2-one

C14H20N2O — CID 101358017

IUPAC4-phenyl-1,5-diazecan-2-one
SMILESO=C1CC(c2ccccc2)NCCCCCN1
InChIInChI=1S/C14H20N2O/c17-14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-16-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,16,17)
InChIKeyFIXAPWNRQSTEKQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds1

About 4-phenyl-1,5-diazecan-2-one

4-phenyl-1,5-diazecan-2-one (PubChem CID 101358017) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-phenyl-1,5-diazecan-2-one.

Molecular Properties

Compound Name4-phenyl-1,5-diazecan-2-one
PubChem CID101358017
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-phenyl-1,5-diazecan-2-one
SMILESO=C1CC(c2ccccc2)NCCCCCN1
InChIInChI=1S/C14H20N2O/c17-14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-16-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,16,17)
InChIKeyFIXAPWNRQSTEKQ-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,5-diazecan-2-one?
The IUPAC name of 4-phenyl-1,5-diazecan-2-one (CID 101358017) is 4-phenyl-1,5-diazecan-2-one.
What is the SMILES notation for 4-phenyl-1,5-diazecan-2-one?
The canonical SMILES for 4-phenyl-1,5-diazecan-2-one is O=C1CC(c2ccccc2)NCCCCCN1.
What is the InChIKey of 4-phenyl-1,5-diazecan-2-one?
The InChIKey is FIXAPWNRQSTEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-16-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,16,17).
What are the key properties of 4-phenyl-1,5-diazecan-2-one?
4-phenyl-1,5-diazecan-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,5-diazecan-2-one is sourced from PubChem (CID 101358017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).