N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide

C13H22N2O — CID 106230204

IUPACN-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
SMILESC#CC(CC)NC(=O)C1(CCC)CCNC1
InChIInChI=1S/C13H22N2O/c1-4-7-13(8-9-14-10-13)12(16)15-11(5-2)6-3/h2,11,14H,4,6-10H2,1,3H3,(H,15,16)
InChIKeyPRKJOCUKBROSAR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds5

About N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide

N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide (PubChem CID 106230204) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
PubChem CID106230204
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
SMILESC#CC(CC)NC(=O)C1(CCC)CCNC1
InChIInChI=1S/C13H22N2O/c1-4-7-13(8-9-14-10-13)12(16)15-11(5-2)6-3/h2,11,14H,4,6-10H2,1,3H3,(H,15,16)
InChIKeyPRKJOCUKBROSAR-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 107824578
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide (CID 106230204) is N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide is C#CC(CC)NC(=O)C1(CCC)CCNC1.
What is the InChIKey of N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is PRKJOCUKBROSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-7-13(8-9-14-10-13)12(16)15-11(5-2)6-3/h2,11,14H,4,6-10H2,1,3H3,(H,15,16).
What are the key properties of N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide?
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106230204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).