1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid

C14H23NO3 — CID 67562480

IUPAC1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid
SMILESC=CN1CCCC1=O.CCCCC=C(C)C(=O)O
InChIInChI=1S/C8H14O2.C6H9NO/c1-3-4-5-6-7(2)8(9)10;1-2-7-5-3-4-6(7)8/h6H,3-5H2,1-2H3,(H,9,10);2H,1,3-5H2
InChIKeyGFJMXBLKIAUOPQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.96
Rot. Bonds5

About 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid

1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid (PubChem CID 67562480) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid
PubChem CID67562480
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid
SMILESC=CN1CCCC1=O.CCCCC=C(C)C(=O)O
InChIInChI=1S/C8H14O2.C6H9NO/c1-3-4-5-6-7(2)8(9)10;1-2-7-5-3-4-6(7)8/h6H,3-5H2,1-2H3,(H,9,10);2H,1,3-5H2
InChIKeyGFJMXBLKIAUOPQ-UHFFFAOYSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid (CID 67562480) is 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid is C=CN1CCCC1=O.CCCCC=C(C)C(=O)O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid?
The InChIKey is GFJMXBLKIAUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H9NO/c1-3-4-5-6-7(2)8(9)10;1-2-7-5-3-4-6(7)8/h6H,3-5H2,1-2H3,(H,9,10);2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid?
1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-methylhept-2-enoic acid is sourced from PubChem (CID 67562480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).