N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide

C11H18N2O — CID 102779892

IUPACN-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN(CC)C(=O)C1NCCC1C
InChIInChI=1S/C11H18N2O/c1-4-8-13(5-2)11(14)10-9(3)6-7-12-10/h1,9-10,12H,5-8H2,2-3H3
InChIKeyGZPIFRSGKNJERV-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.47
Rot. Bonds3

About N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide

N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide (PubChem CID 102779892) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
PubChem CID102779892
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN(CC)C(=O)C1NCCC1C
InChIInChI=1S/C11H18N2O/c1-4-8-13(5-2)11(14)10-9(3)6-7-12-10/h1,9-10,12H,5-8H2,2-3H3
InChIKeyGZPIFRSGKNJERV-UHFFFAOYSA-N
XLogP0.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778482
N-[2-(dimethylamino)ethyl]-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102779290
N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 114429394
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979079
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide (CID 102779892) is N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide is C#CCN(CC)C(=O)C1NCCC1C.
What is the InChIKey of N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide?
The InChIKey is GZPIFRSGKNJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-8-13(5-2)11(14)10-9(3)6-7-12-10/h1,9-10,12H,5-8H2,2-3H3.
What are the key properties of N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide?
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).