N-(pyrrolidin-2-ylmethyl)but-2-ynamide

C9H14N2O — CID 107990230

IUPACN-(pyrrolidin-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)NCC1CCCN1
InChIInChI=1S/C9H14N2O/c1-2-4-9(12)11-7-8-5-3-6-10-8/h8,10H,3,5-7H2,1H3,(H,11,12)
InChIKeyYLMDXVZGIOTJKD-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.12
Rot. Bonds2

About N-(pyrrolidin-2-ylmethyl)but-2-ynamide

N-(pyrrolidin-2-ylmethyl)but-2-ynamide (PubChem CID 107990230) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)but-2-ynamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)but-2-ynamide
PubChem CID107990230
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(pyrrolidin-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)NCC1CCCN1
InChIInChI=1S/C9H14N2O/c1-2-4-9(12)11-7-8-5-3-6-10-8/h8,10H,3,5-7H2,1H3,(H,11,12)
InChIKeyYLMDXVZGIOTJKD-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.12
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

2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
CID 144839728

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)but-2-ynamide (CID 107990230) is N-(pyrrolidin-2-ylmethyl)but-2-ynamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)but-2-ynamide is CC#CC(=O)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The InChIKey is YLMDXVZGIOTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-4-9(12)11-7-8-5-3-6-10-8/h8,10H,3,5-7H2,1H3,(H,11,12).
What are the key properties of N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
N-(pyrrolidin-2-ylmethyl)but-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)but-2-ynamide is sourced from PubChem (CID 107990230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).