N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide

C10H16N2O — CID 106608800

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide
SMILESC#CC(=O)N(CC)CC1CCCN1
InChIInChI=1S/C10H16N2O/c1-3-10(13)12(4-2)8-9-6-5-7-11-9/h1,9,11H,4-8H2,2H3
InChIKeyGAQJBKRKOWIITD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.22
Rot. Bonds3

About N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide

N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide (PubChem CID 106608800) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide
PubChem CID106608800
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide
SMILESC#CC(=O)N(CC)CC1CCCN1
InChIInChI=1S/C10H16N2O/c1-3-10(13)12(4-2)8-9-6-5-7-11-9/h1,9,11H,4-8H2,2H3
InChIKeyGAQJBKRKOWIITD-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.22
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

2-cyclohexyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609305
2-acetamido-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609477
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
1,3-diethyl-1-(piperidin-2-ylmethyl)urea
CID 106629771
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106609453
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide (CID 106608800) is N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide is C#CC(=O)N(CC)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide?
The InChIKey is GAQJBKRKOWIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-10(13)12(4-2)8-9-6-5-7-11-9/h1,9,11H,4-8H2,2H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide has a molecular weight of 180.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide is sourced from PubChem (CID 106608800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).