1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole

C22H24N2O — CID 175034904

IUPAC1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole
SMILESC=CC1CCN(C=C)C1=O.CCc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H13N.C8H11NO/c1-2-10-7-8-12-11-5-3-4-6-13(11)15-14(12)9-10;1-3-7-5-6-9(4-2)8(7)10/h3-9,15H,2H2,1H3;3-4,7H,1-2,5-6H2
InChIKeyIAXVXYGGMTVMPJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.05
Rot. Bonds3

About 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole

1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole (PubChem CID 175034904) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole.

Molecular Properties

Compound Name1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole
PubChem CID175034904
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole
SMILESC=CC1CCN(C=C)C1=O.CCc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H13N.C8H11NO/c1-2-10-7-8-12-11-5-3-4-6-13(11)15-14(12)9-10;1-3-7-5-6-9(4-2)8(7)10/h3-9,15H,2H2,1H3;3-4,7H,1-2,5-6H2
InChIKeyIAXVXYGGMTVMPJ-UHFFFAOYSA-N
XLogP5.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole?
The IUPAC name of 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole (CID 175034904) is 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole.
What is the SMILES notation for 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole?
The canonical SMILES for 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole is C=CC1CCN(C=C)C1=O.CCc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole?
The InChIKey is IAXVXYGGMTVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C8H11NO/c1-2-10-7-8-12-11-5-3-4-6-13(11)15-14(12)9-10;1-3-7-5-6-9(4-2)8(7)10/h3-9,15H,2H2,1H3;3-4,7H,1-2,5-6H2.
What are the key properties of 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole?
1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole has a molecular weight of 332.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)pyrrolidin-2-one;2-ethyl-9H-carbazole is sourced from PubChem (CID 175034904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).