2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C12H15NO — CID 67810584

IUPAC2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESC=CCc1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C12H15NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h2,8H,1,3-7H2,(H,13,14)
InChIKeyNVMMEPNLJOVWRC-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.98
Rot. Bonds2

About 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 67810584) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID67810584
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESC=CCc1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C12H15NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h2,8H,1,3-7H2,(H,13,14)
InChIKeyNVMMEPNLJOVWRC-UHFFFAOYSA-N
XLogP1.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 67810584) is 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is C=CCc1cc(=O)c2c([nH]1)CCCC2.
What is the InChIKey of 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is NVMMEPNLJOVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h2,8H,1,3-7H2,(H,13,14).
What are the key properties of 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 189.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 67810584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).