ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C14H26N2O — CID 158466722

IUPACethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC.CC.CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O.2C2H6/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9;2*1-2/h2-6H2,1H3,(H,12,13);2*1-2H3
InChIKeyHFVNIIMUYQUQTR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.26
Rot. Bonds1

About ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 158466722) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Nameethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID158466722
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC.CC.CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O.2C2H6/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9;2*1-2/h2-6H2,1H3,(H,12,13);2*1-2H3
InChIKeyHFVNIIMUYQUQTR-UHFFFAOYSA-N
XLogP3.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 158466722) is ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CC.CC.CCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is HFVNIIMUYQUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2C2H6/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9;2*1-2/h2-6H2,1H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 158466722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).