dipropan-2-yl 4-diazopent-2-enedioate

C11H16N2O4 — CID 155670773

IUPACdipropan-2-yl 4-diazopent-2-enedioate
SMILESCC(C)OC(=O)C=CC(=[N+]=[N-])C(=O)OC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)16-10(14)6-5-9(13-12)11(15)17-8(3)4/h5-8H,1-4H3
InChIKeyUFLXAXKLDREQLB-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.12
Rot. Bonds5

About dipropan-2-yl 4-diazopent-2-enedioate

dipropan-2-yl 4-diazopent-2-enedioate (PubChem CID 155670773) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is dipropan-2-yl 4-diazopent-2-enedioate.

Molecular Properties

Compound Namedipropan-2-yl 4-diazopent-2-enedioate
PubChem CID155670773
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namedipropan-2-yl 4-diazopent-2-enedioate
SMILESCC(C)OC(=O)C=CC(=[N+]=[N-])C(=O)OC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)16-10(14)6-5-9(13-12)11(15)17-8(3)4/h5-8H,1-4H3
InChIKeyUFLXAXKLDREQLB-UHFFFAOYSA-N
XLogP1.12
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 4-diazopent-2-enedioate?
The IUPAC name of dipropan-2-yl 4-diazopent-2-enedioate (CID 155670773) is dipropan-2-yl 4-diazopent-2-enedioate.
What is the SMILES notation for dipropan-2-yl 4-diazopent-2-enedioate?
The canonical SMILES for dipropan-2-yl 4-diazopent-2-enedioate is CC(C)OC(=O)C=CC(=[N+]=[N-])C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 4-diazopent-2-enedioate?
The InChIKey is UFLXAXKLDREQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)16-10(14)6-5-9(13-12)11(15)17-8(3)4/h5-8H,1-4H3.
What are the key properties of dipropan-2-yl 4-diazopent-2-enedioate?
dipropan-2-yl 4-diazopent-2-enedioate has a molecular weight of 240.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 4-diazopent-2-enedioate is sourced from PubChem (CID 155670773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).