N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide

C13H22N2O — CID 106981317

IUPACN-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H22N2O/c1-4-5-6-8-15-12(16)13(11(2)3)7-9-14-10-13/h11,14H,6-10H2,1-3H3,(H,15,16)
InChIKeyVALASUAQSOTFTB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.15
Rot. Bonds4

About N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide

N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981317) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981317
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H22N2O/c1-4-5-6-8-15-12(16)13(11(2)3)7-9-14-10-13/h11,14H,6-10H2,1-3H3,(H,15,16)
InChIKeyVALASUAQSOTFTB-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.15
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-pent-3-ynyl-3-propan-2-ylpyrrolidine-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

N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979565
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979981
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981317) is N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide is CC#CCCNC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VALASUAQSOTFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-8-15-12(16)13(11(2)3)7-9-14-10-13/h11,14H,6-10H2,1-3H3,(H,15,16).
What are the key properties of N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide?
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).