ethyl 2-methylcyclopentene-1-carboxylate

C9H14O2 — CID 13416667

IUPACethyl 2-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKeyOFSLDYNRTCQKFU-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About ethyl 2-methylcyclopentene-1-carboxylate

ethyl 2-methylcyclopentene-1-carboxylate (PubChem CID 13416667) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 2-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylcyclopentene-1-carboxylate
PubChem CID13416667
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 2-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKeyOFSLDYNRTCQKFU-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-methylcyclopentene-1-carboxylate (CID 13416667) is ethyl 2-methylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-methylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-methylcyclopentene-1-carboxylate is CCOC(=O)C1=C(C)CCC1.
What is the InChIKey of ethyl 2-methylcyclopentene-1-carboxylate?
The InChIKey is OFSLDYNRTCQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9(10)8-6-4-5-7(8)2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-methylcyclopentene-1-carboxylate?
ethyl 2-methylcyclopentene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 13416667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).