1-dodecylpyrrole;pyrrolidin-2-one

C20H36N2O — CID 175299965

IUPAC1-dodecylpyrrole;pyrrolidin-2-one
SMILESCCCCCCCCCCCCn1cccc1.O=C1CCCN1
InChIInChI=1S/C16H29N.C4H7NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;6-4-2-1-3-5-4/h12-13,15-16H,2-11,14H2,1H3;1-3H2,(H,5,6)
InChIKeyWWCLUWJWTPVCLZ-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.31
Rot. Bonds11

About 1-dodecylpyrrole;pyrrolidin-2-one

1-dodecylpyrrole;pyrrolidin-2-one (PubChem CID 175299965) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-dodecylpyrrole;pyrrolidin-2-one.

Molecular Properties

Compound Name1-dodecylpyrrole;pyrrolidin-2-one
PubChem CID175299965
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name1-dodecylpyrrole;pyrrolidin-2-one
SMILESCCCCCCCCCCCCn1cccc1.O=C1CCCN1
InChIInChI=1S/C16H29N.C4H7NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;6-4-2-1-3-5-4/h12-13,15-16H,2-11,14H2,1H3;1-3H2,(H,5,6)
InChIKeyWWCLUWJWTPVCLZ-UHFFFAOYSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecylpyrrole;pyrrolidin-2-one?
The IUPAC name of 1-dodecylpyrrole;pyrrolidin-2-one (CID 175299965) is 1-dodecylpyrrole;pyrrolidin-2-one.
What is the SMILES notation for 1-dodecylpyrrole;pyrrolidin-2-one?
The canonical SMILES for 1-dodecylpyrrole;pyrrolidin-2-one is CCCCCCCCCCCCn1cccc1.O=C1CCCN1.
What is the InChIKey of 1-dodecylpyrrole;pyrrolidin-2-one?
The InChIKey is WWCLUWJWTPVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N.C4H7NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;6-4-2-1-3-5-4/h12-13,15-16H,2-11,14H2,1H3;1-3H2,(H,5,6).
What are the key properties of 1-dodecylpyrrole;pyrrolidin-2-one?
1-dodecylpyrrole;pyrrolidin-2-one has a molecular weight of 320.52 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpyrrole;pyrrolidin-2-one is sourced from PubChem (CID 175299965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).