2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone

C12H20N2O — CID 170289305

IUPAC2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
SMILESC#CCN(CCC)CC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-7-13(8-4-2)11-12(15)14-9-5-6-10-14/h1H,4-11H2,2H3
InChIKeyOHCTZKRJEVLXCN-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone

2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 170289305) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID170289305
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
SMILESC#CCN(CCC)CC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-7-13(8-4-2)11-12(15)14-9-5-6-10-14/h1H,4-11H2,2H3
InChIKeyOHCTZKRJEVLXCN-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide
CID 166846146
N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 78969952
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 106640711

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone (CID 170289305) is 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone is C#CCN(CCC)CC(=O)N1CCCC1.
What is the InChIKey of 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is OHCTZKRJEVLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-7-13(8-4-2)11-12(15)14-9-5-6-10-14/h1H,4-11H2,2H3.
What are the key properties of 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone?
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 208.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170289305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).