N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide

C12H20N2O — CID 27252

IUPACN-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide
SMILESCCCC(=O)NCC#CCN1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-7-12(15)13-8-3-4-9-14-10-5-6-11-14/h2,5-11H2,1H3,(H,13,15)
InChIKeyUHUPGWYNELTGDN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds4

About N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide

N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide (PubChem CID 27252) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide
PubChem CID27252
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide
SMILESCCCC(=O)NCC#CCN1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-7-12(15)13-8-3-4-9-14-10-5-6-11-14/h2,5-11H2,1H3,(H,13,15)
InChIKeyUHUPGWYNELTGDN-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
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,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230
N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
1-[4-(Ethyl-methyl-amino)-but-2-ynyl]-pyrrolidin-2-one
CID 44286173
Acetamide, N-(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 49385
2-Pyrrolidinone, 1-(4-(dipropylamino)-2-butynyl)-
CID 199271
2-Pyrrolidinone, 1-(4-aminobutyl)-
CID 3041220
C3-Amide-C4-NH2
CID 14484861
2-Amino-N-methyl-N-(4-(1-pyrrolidinyl)-2-butyn-1-yl)acetamide
CID 577938
Butyramide, N-(4-(diethylamino)-2-butynyl)-, monohydrochloride
CID 28086
1-Ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
CID 45791026
N-(3-oxo-3-(pyrrolidin-1-yl)propyl)acetamide
CID 60635040

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide?
The IUPAC name of N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide (CID 27252) is N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide is CCCC(=O)NCC#CCN1CCCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide?
The InChIKey is UHUPGWYNELTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-7-12(15)13-8-3-4-9-14-10-5-6-11-14/h2,5-11H2,1H3,(H,13,15).
What are the key properties of N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide?
N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide has a molecular weight of 208.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide is sourced from PubChem (CID 27252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).