methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate

C16H14O3 — CID 89157511

IUPACmethyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3ccccc3c2)CC1C=O
InChIInChI=1S/C16H14O3/c1-19-15(18)16(9-14(16)10-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3
InChIKeyDAOUMRUSIXYTEY-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate

methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate (PubChem CID 89157511) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate
PubChem CID89157511
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3ccccc3c2)CC1C=O
InChIInChI=1S/C16H14O3/c1-19-15(18)16(9-14(16)10-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3
InChIKeyDAOUMRUSIXYTEY-UHFFFAOYSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
CID 71464996
3-methoxy-1-naphthalen-2-ylcyclobutan-1-ol
CID 106823614
[6-(methoxymethylidene)-5-naphthalen-2-yl-2-adamantyl] acetate
CID 67760323
methyl 1-(3,4-difluorophenyl)-2-methylcyclopropane-1-carboxylate
CID 116842958
methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116842922
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 102346585
methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
CID 116963948
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate (CID 89157511) is methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate is COC(=O)C1(c2ccc3ccccc3c2)CC1C=O.
What is the InChIKey of methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The InChIKey is DAOUMRUSIXYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-15(18)16(9-14(16)10-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3.
What are the key properties of methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate?
methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 89157511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).