hexadecane;pyrrolidin-2-one

C20H41NO — CID 158475613

IUPAChexadecane;pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCC.O=C1CCCN1
InChIInChI=1S/C16H34.C4H7NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;6-4-2-1-3-5-4/h3-16H2,1-2H3;1-3H2,(H,5,6)
InChIKeyHGWWHDADHCXLHR-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.38
Rot. Bonds13

About hexadecane;pyrrolidin-2-one

hexadecane;pyrrolidin-2-one (PubChem CID 158475613) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is hexadecane;pyrrolidin-2-one.

Molecular Properties

Compound Namehexadecane;pyrrolidin-2-one
PubChem CID158475613
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Namehexadecane;pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCC.O=C1CCCN1
InChIInChI=1S/C16H34.C4H7NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;6-4-2-1-3-5-4/h3-16H2,1-2H3;1-3H2,(H,5,6)
InChIKeyHGWWHDADHCXLHR-UHFFFAOYSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecanoic acid;pyrrolidin-2-one;zinc
CID 67236635
1-dodecylpyrrole;pyrrolidin-2-one
CID 175299965
ethanamine;pyrrolidin-2-one
CID 175437150
ethane;pyrrolidin-2-one
CID 54451151
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
2-butoxyethanol;pyrrolidin-2-one
CID 68900014
butylbenzene;pyrrolidin-2-one
CID 175394564
propanoic acid;pyrrolidin-2-one
CID 163580997
azonan-2-one;6-heptylpiperidin-2-one
CID 70430159
ethene;bis(pyrrolidin-2-one)
CID 67822125

Frequently Asked Questions

What is the IUPAC name of hexadecane;pyrrolidin-2-one?
The IUPAC name of hexadecane;pyrrolidin-2-one (CID 158475613) is hexadecane;pyrrolidin-2-one.
What is the SMILES notation for hexadecane;pyrrolidin-2-one?
The canonical SMILES for hexadecane;pyrrolidin-2-one is CCCCCCCCCCCCCCCC.O=C1CCCN1.
What is the InChIKey of hexadecane;pyrrolidin-2-one?
The InChIKey is HGWWHDADHCXLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C4H7NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;6-4-2-1-3-5-4/h3-16H2,1-2H3;1-3H2,(H,5,6).
What are the key properties of hexadecane;pyrrolidin-2-one?
hexadecane;pyrrolidin-2-one has a molecular weight of 311.55 g/mol, XLogP of 6.38, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;pyrrolidin-2-one is sourced from PubChem (CID 158475613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).