decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium

C17H35N2O+ — CID 14093942

IUPACdecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C17H35N2O/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20/h4-16H2,1-3H3/q+1
InChIKeySRKLVRDBYDTZJY-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.78
Rot. Bonds11

About decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium

decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 14093942) has the molecular formula C17H35N2O+ and a molecular weight of 283.48 g/mol. Its IUPAC name is decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Namedecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID14093942
Molecular FormulaC17H35N2O+
Molecular Weight283.48 g/mol
Exact Mass283.27
IUPAC Namedecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C17H35N2O/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20/h4-16H2,1-3H3/q+1
InChIKeySRKLVRDBYDTZJY-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The IUPAC name of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 14093942) is decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is CCCCCCCCCC[N+](C)(C)CN1CCCC1=O.
What is the InChIKey of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is SRKLVRDBYDTZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N2O/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20/h4-16H2,1-3H3/q+1.
What are the key properties of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 283.48 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is sourced from PubChem (CID 14093942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).