5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

C14H18N2O — CID 83242074

IUPAC5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-10-16-12(11-6-4-3-5-7-11)15-14(8-9-14)13(16)17/h3-7,12,15H,2,8-10H2,1H3
InChIKeyKALVMIULTBGSMH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds3

About 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83242074) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83242074
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-10-16-12(11-6-4-3-5-7-11)15-14(8-9-14)13(16)17/h3-7,12,15H,2,8-10H2,1H3
InChIKeyKALVMIULTBGSMH-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83242074) is 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccccc1.
What is the InChIKey of 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KALVMIULTBGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-10-16-12(11-6-4-3-5-7-11)15-14(8-9-14)13(16)17/h3-7,12,15H,2,8-10H2,1H3.
What are the key properties of 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 230.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83242074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).