2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one

C11H14N2O — CID 126853160

IUPAC2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESC=CCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12-13/h2,8H,1,3-7H2
InChIKeyXKAALIJGPLCBGY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.31
Rot. Bonds2

About 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one

2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126853160) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126853160
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESC=CCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12-13/h2,8H,1,3-7H2
InChIKeyXKAALIJGPLCBGY-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 126853160) is 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one is C=CCn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is XKAALIJGPLCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12-13/h2,8H,1,3-7H2.
What are the key properties of 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one?
2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126853160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).