methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen

C13H23NO3 — CID 177013212

IUPACmethyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen
SMILESCOC(=O)C1=C(C(=O)NCC(C)(C)C)CCC1.[H][H]
InChIInChI=1S/C13H21NO3.H2/c1-13(2,3)8-14-11(15)9-6-5-7-10(9)12(16)17-4;/h5-8H2,1-4H3,(H,14,15);1H
InChIKeyDHGGSDSCWWQPRJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.05
Rot. Bonds3

About methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen

methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen (PubChem CID 177013212) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen
PubChem CID177013212
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen
SMILESCOC(=O)C1=C(C(=O)NCC(C)(C)C)CCC1.[H][H]
InChIInChI=1S/C13H21NO3.H2/c1-13(2,3)8-14-11(15)9-6-5-7-10(9)12(16)17-4;/h5-8H2,1-4H3,(H,14,15);1H
InChIKeyDHGGSDSCWWQPRJ-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen?
The IUPAC name of methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen (CID 177013212) is methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen is COC(=O)C1=C(C(=O)NCC(C)(C)C)CCC1.[H][H].
What is the InChIKey of methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen?
The InChIKey is DHGGSDSCWWQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.H2/c1-13(2,3)8-14-11(15)9-6-5-7-10(9)12(16)17-4;/h5-8H2,1-4H3,(H,14,15);1H.
What are the key properties of methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen?
methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen has a molecular weight of 241.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropylcarbamoyl)cyclopentene-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 177013212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).