N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen

C11H29N2O+ — CID 160890891

IUPACN-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen
SMILESC.C.CCNC(=O)C[N+]1(C)CCCC1.[H][H]
InChIInChI=1S/C9H18N2O.2CH4.H2/c1-3-10-9(12)8-11(2)6-4-5-7-11;;;/h3-8H2,1-2H3;2*1H4;1H/p+1
InChIKeySOGGCKNUFZOLTL-UHFFFAOYSA-O
MW205.37 g/mol
LogP1.88
Rot. Bonds3

About N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen

N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen (PubChem CID 160890891) has the molecular formula C11H29N2O+ and a molecular weight of 205.37 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen
PubChem CID160890891
Molecular FormulaC11H29N2O+
Molecular Weight205.37 g/mol
Exact Mass205.23
IUPAC NameN-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen
SMILESC.C.CCNC(=O)C[N+]1(C)CCCC1.[H][H]
InChIInChI=1S/C9H18N2O.2CH4.H2/c1-3-10-9(12)8-11(2)6-4-5-7-11;;;/h3-8H2,1-2H3;2*1H4;1H/p+1
InChIKeySOGGCKNUFZOLTL-UHFFFAOYSA-O
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen?
The IUPAC name of N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen (CID 160890891) is N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen?
The canonical SMILES for N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen is C.C.CCNC(=O)C[N+]1(C)CCCC1.[H][H].
What is the InChIKey of N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen?
The InChIKey is SOGGCKNUFZOLTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O.2CH4.H2/c1-3-10-9(12)8-11(2)6-4-5-7-11;;;/h3-8H2,1-2H3;2*1H4;1H/p+1.
What are the key properties of N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen?
N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen has a molecular weight of 205.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide;methane;molecular hydrogen is sourced from PubChem (CID 160890891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).