N-pent-3-ynylpyrrolidine-3-carboxamide

C10H16N2O — CID 116644143

IUPACN-pent-3-ynylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1CCNC1
InChIInChI=1S/C10H16N2O/c1-2-3-4-6-12-10(13)9-5-7-11-8-9/h9,11H,4-8H2,1H3,(H,12,13)
InChIKeyOZXWUBBHBQYPAS-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.13
Rot. Bonds3

About N-pent-3-ynylpyrrolidine-3-carboxamide

N-pent-3-ynylpyrrolidine-3-carboxamide (PubChem CID 116644143) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-pent-3-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pent-3-ynylpyrrolidine-3-carboxamide
PubChem CID116644143
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-pent-3-ynylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1CCNC1
InChIInChI=1S/C10H16N2O/c1-2-3-4-6-12-10(13)9-5-7-11-8-9/h9,11H,4-8H2,1H3,(H,12,13)
InChIKeyOZXWUBBHBQYPAS-UHFFFAOYSA-N
XLogP0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.13
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'}

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Related Compounds

N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116
(3S)-N-pent-3-ynylpiperidine-3-carboxamide
CID 104891658
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
4,4-difluoro-N-pent-3-ynylcyclohexane-1-carboxamide
CID 104581214
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 106337238
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylpyrrolidine-3-carboxamide?
The IUPAC name of N-pent-3-ynylpyrrolidine-3-carboxamide (CID 116644143) is N-pent-3-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-pent-3-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for N-pent-3-ynylpyrrolidine-3-carboxamide is CC#CCCNC(=O)C1CCNC1.
What is the InChIKey of N-pent-3-ynylpyrrolidine-3-carboxamide?
The InChIKey is OZXWUBBHBQYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-6-12-10(13)9-5-7-11-8-9/h9,11H,4-8H2,1H3,(H,12,13).
What are the key properties of N-pent-3-ynylpyrrolidine-3-carboxamide?
N-pent-3-ynylpyrrolidine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 116644143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).