N-ethyl-4-methylidenepyrrolidine-2-carboxamide

C8H14N2O — CID 91447134

IUPACN-ethyl-4-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CNC(C(=O)NCC)C1
InChIInChI=1S/C8H14N2O/c1-3-9-8(11)7-4-6(2)5-10-7/h7,10H,2-5H2,1H3,(H,9,11)
InChIKeySSUVEWGFGQXMFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds2

About N-ethyl-4-methylidenepyrrolidine-2-carboxamide

N-ethyl-4-methylidenepyrrolidine-2-carboxamide (PubChem CID 91447134) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethyl-4-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methylidenepyrrolidine-2-carboxamide
PubChem CID91447134
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethyl-4-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CNC(C(=O)NCC)C1
InChIInChI=1S/C8H14N2O/c1-3-9-8(11)7-4-6(2)5-10-7/h7,10H,2-5H2,1H3,(H,9,11)
InChIKeySSUVEWGFGQXMFH-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylidenepyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-methylidenepyrrolidine-2-carboxamide (CID 91447134) is N-ethyl-4-methylidenepyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-methylidenepyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-methylidenepyrrolidine-2-carboxamide is C=C1CNC(C(=O)NCC)C1.
What is the InChIKey of N-ethyl-4-methylidenepyrrolidine-2-carboxamide?
The InChIKey is SSUVEWGFGQXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-9-8(11)7-4-6(2)5-10-7/h7,10H,2-5H2,1H3,(H,9,11).
What are the key properties of N-ethyl-4-methylidenepyrrolidine-2-carboxamide?
N-ethyl-4-methylidenepyrrolidine-2-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 91447134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).