N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide

C10H18N2O — CID 89097084

IUPACN-tert-butyl-5-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NC(C)(C)C)N1
InChIInChI=1S/C10H18N2O/c1-7-5-6-8(11-7)9(13)12-10(2,3)4/h8,11H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyXLLNUAGSCNUHMF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.17
Rot. Bonds1

About N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide

N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide (PubChem CID 89097084) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methylidenepyrrolidine-2-carboxamide
PubChem CID89097084
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-tert-butyl-5-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NC(C)(C)C)N1
InChIInChI=1S/C10H18N2O/c1-7-5-6-8(11-7)9(13)12-10(2,3)4/h8,11H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyXLLNUAGSCNUHMF-UHFFFAOYSA-N
XLogP1.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide (CID 89097084) is N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide is C=C1CCC(C(=O)NC(C)(C)C)N1.
What is the InChIKey of N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide?
The InChIKey is XLLNUAGSCNUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-5-6-8(11-7)9(13)12-10(2,3)4/h8,11H,1,5-6H2,2-4H3,(H,12,13).
What are the key properties of N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide?
N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 89097084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).