N-hex-5-ynylpyrrolidine-3-carboxamide

C11H18N2O — CID 106213094

IUPACN-hex-5-ynylpyrrolidine-3-carboxamide
SMILESC#CCCCCNC(=O)C1CCNC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-7-13-11(14)10-6-8-12-9-10/h1,10,12H,3-9H2,(H,13,14)
InChIKeyVKBOIWFNPQDZTK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.52
Rot. Bonds5

About N-hex-5-ynylpyrrolidine-3-carboxamide

N-hex-5-ynylpyrrolidine-3-carboxamide (PubChem CID 106213094) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-hex-5-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynylpyrrolidine-3-carboxamide
PubChem CID106213094
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-hex-5-ynylpyrrolidine-3-carboxamide
SMILESC#CCCCCNC(=O)C1CCNC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-7-13-11(14)10-6-8-12-9-10/h1,10,12H,3-9H2,(H,13,14)
InChIKeyVKBOIWFNPQDZTK-UHFFFAOYSA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-ynylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylpyrrolidine-3-carboxamide?
The IUPAC name of N-hex-5-ynylpyrrolidine-3-carboxamide (CID 106213094) is N-hex-5-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-hex-5-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for N-hex-5-ynylpyrrolidine-3-carboxamide is C#CCCCCNC(=O)C1CCNC1.
What is the InChIKey of N-hex-5-ynylpyrrolidine-3-carboxamide?
The InChIKey is VKBOIWFNPQDZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-5-7-13-11(14)10-6-8-12-9-10/h1,10,12H,3-9H2,(H,13,14).
What are the key properties of N-hex-5-ynylpyrrolidine-3-carboxamide?
N-hex-5-ynylpyrrolidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106213094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).