1-dodecyl-3H-pyrrol-2-one

C16H29NO — CID 23649268

IUPAC1-dodecyl-3H-pyrrol-2-one
SMILESCCCCCCCCCCCCN1C=CCC1=O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12,15H,2-11,13-14H2,1H3
InChIKeyZFDHJMNMTKBMRU-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.65
Rot. Bonds11

About 1-dodecyl-3H-pyrrol-2-one

1-dodecyl-3H-pyrrol-2-one (PubChem CID 23649268) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-dodecyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1-dodecyl-3H-pyrrol-2-one
PubChem CID23649268
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-dodecyl-3H-pyrrol-2-one
SMILESCCCCCCCCCCCCN1C=CCC1=O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12,15H,2-11,13-14H2,1H3
InChIKeyZFDHJMNMTKBMRU-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3H-pyrrol-2-one?
The IUPAC name of 1-dodecyl-3H-pyrrol-2-one (CID 23649268) is 1-dodecyl-3H-pyrrol-2-one.
What is the SMILES notation for 1-dodecyl-3H-pyrrol-2-one?
The canonical SMILES for 1-dodecyl-3H-pyrrol-2-one is CCCCCCCCCCCCN1C=CCC1=O.
What is the InChIKey of 1-dodecyl-3H-pyrrol-2-one?
The InChIKey is ZFDHJMNMTKBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h12,15H,2-11,13-14H2,1H3.
What are the key properties of 1-dodecyl-3H-pyrrol-2-one?
1-dodecyl-3H-pyrrol-2-one has a molecular weight of 251.41 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3H-pyrrol-2-one is sourced from PubChem (CID 23649268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).