ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate

C20H20O3 — CID 135055696

IUPACethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OCC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-23-19(22)20(13-7-8-14(20)2)18(21)17-12-6-10-15-9-4-5-11-16(15)17/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeyCTWVKBZGQWBDLI-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.31
Rot. Bonds4

About ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate

ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate (PubChem CID 135055696) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate
PubChem CID135055696
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OCC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-23-19(22)20(13-7-8-14(20)2)18(21)17-12-6-10-15-9-4-5-11-16(15)17/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeyCTWVKBZGQWBDLI-UHFFFAOYSA-N
XLogP4.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate
CID 102131963
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
ethyl (1R)-2-oxo-1-[2-(triphenyl-λ5-phosphanylidene)acetyl]cyclopentane-1-carboxylate
CID 102240826
benzyl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134848518
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
CID 175236588
ethyl 1-[2-(2-chlorophenyl)-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
CID 23631347
ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658
cis-ethyl (1R,2R)-2-naphthalen-1-yl-1-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 122368356
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
CID 130942720
ethyl chrysene-1-carboxylate
CID 86251232
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate (CID 135055696) is ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate is C=C1CCCC1(C(=O)OCC)C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate?
The InChIKey is CTWVKBZGQWBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-23-19(22)20(13-7-8-14(20)2)18(21)17-12-6-10-15-9-4-5-11-16(15)17/h4-6,9-12H,2-3,7-8,13H2,1H3.
What are the key properties of ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate?
ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 135055696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).