3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

C8H10N2O2 — CID 10630894

IUPAC3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESC=CCN1NC(=O)C2CC2C1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-10-8(12)6-4-5(6)7(11)9-10/h2,5-6H,1,3-4H2,(H,9,11)
InChIKeyMEOHPSGBHPBOEC-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.32
Rot. Bonds2

About 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (PubChem CID 10630894) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.

Molecular Properties

Compound Name3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
PubChem CID10630894
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESC=CCN1NC(=O)C2CC2C1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-10-8(12)6-4-5(6)7(11)9-10/h2,5-6H,1,3-4H2,(H,9,11)
InChIKeyMEOHPSGBHPBOEC-UHFFFAOYSA-N
XLogP-0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10773775
(+/-)-3-(2-Methyl-2-propen-1-yl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10821240
(+/-)-3-Isobutyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 19936397
3-(3-Methylbut-2-enyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 85247290
3-Prop-2-ynyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 85287656
(1S,6R)-3-(2-methylpropyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10511637
(1S,6R)-3-(3-methylbut-2-enyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10726472
(1S,6R)-3-prop-2-ynyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10844750

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The IUPAC name of 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (CID 10630894) is 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.
What is the SMILES notation for 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The canonical SMILES for 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is C=CCN1NC(=O)C2CC2C1=O.
What is the InChIKey of 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The InChIKey is MEOHPSGBHPBOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-3-10-8(12)6-4-5(6)7(11)9-10/h2,5-6H,1,3-4H2,(H,9,11).
What are the key properties of 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione has a molecular weight of 166.18 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is sourced from PubChem (CID 10630894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).