methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate

C15H16O3 — CID 18794675

IUPACmethyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate
SMILESC=CCC1CCc2c(C(=O)OC)cccc2C1=O
InChIInChI=1S/C15H16O3/c1-3-5-10-8-9-11-12(14(10)16)6-4-7-13(11)15(17)18-2/h3-4,6-7,10H,1,5,8-9H2,2H3
InChIKeyUQLRMBZFEVRCGP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.79
Rot. Bonds3

About methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate

methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate (PubChem CID 18794675) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate
PubChem CID18794675
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate
SMILESC=CCC1CCc2c(C(=O)OC)cccc2C1=O
InChIInChI=1S/C15H16O3/c1-3-5-10-8-9-11-12(14(10)16)6-4-7-13(11)15(17)18-2/h3-4,6-7,10H,1,5,8-9H2,2H3
InChIKeyUQLRMBZFEVRCGP-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
4-methyl-2-prop-2-enyl-2,3-dihydroinden-1-one
CID 69170621
methyl 2,2,4-trioxo-1-prop-2-enyl-2λ6,1-benzothiazine-8-carboxylate
CID 89372936
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753
5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one
CID 14565669
methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
CID 134459821
N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
CID 91726094
methyl 2,2-dimethyl-4-oxo-3H-chromene-8-carboxylate
CID 137332825
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate?
The IUPAC name of methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate (CID 18794675) is methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate?
The canonical SMILES for methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate is C=CCC1CCc2c(C(=O)OC)cccc2C1=O.
What is the InChIKey of methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate?
The InChIKey is UQLRMBZFEVRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-5-10-8-9-11-12(14(10)16)6-4-7-13(11)15(17)18-2/h3-4,6-7,10H,1,5,8-9H2,2H3.
What are the key properties of methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate?
methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate is sourced from PubChem (CID 18794675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).