2-but-1-ynyl-1-methylpyrrolidine

C9H15N — CID 77405120

IUPAC2-but-1-ynyl-1-methylpyrrolidine
SMILESCCC#CC1CCCN1C
InChIInChI=1S/C9H15N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3,5,7-8H2,1-2H3
InChIKeyUMRHFNKZPXTNPI-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.49
Rot. Bonds

About 2-but-1-ynyl-1-methylpyrrolidine

2-but-1-ynyl-1-methylpyrrolidine (PubChem CID 77405120) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-but-1-ynyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-but-1-ynyl-1-methylpyrrolidine
PubChem CID77405120
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-but-1-ynyl-1-methylpyrrolidine
SMILESCCC#CC1CCCN1C
InChIInChI=1S/C9H15N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3,5,7-8H2,1-2H3
InChIKeyUMRHFNKZPXTNPI-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hept-1-ynyl-1-methylazepane
CID 15627450
1-[3-[(2S)-1-methylpiperidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
CID 67920513
2-(1-methylpyrrolidin-2-yl)ethynesulfonyl chloride
CID 117265254
4-but-1-ynyl-1-methylpiperidine
CID 122684075
3-but-1-ynyl-1-propylpiperidine
CID 156866582
tert-butyl 3-(1-methylpyrrolidin-2-yl)prop-2-ynoate
CID 165466480
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(5S,9aR)-5-hex-1-ynyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101105437
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-(3-but-1-ynylpiperidin-1-yl)propan-1-one
CID 163269426
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 166767172

Frequently Asked Questions

What is the IUPAC name of 2-but-1-ynyl-1-methylpyrrolidine?
The IUPAC name of 2-but-1-ynyl-1-methylpyrrolidine (CID 77405120) is 2-but-1-ynyl-1-methylpyrrolidine.
What is the SMILES notation for 2-but-1-ynyl-1-methylpyrrolidine?
The canonical SMILES for 2-but-1-ynyl-1-methylpyrrolidine is CCC#CC1CCCN1C.
What is the InChIKey of 2-but-1-ynyl-1-methylpyrrolidine?
The InChIKey is UMRHFNKZPXTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3,5,7-8H2,1-2H3.
What are the key properties of 2-but-1-ynyl-1-methylpyrrolidine?
2-but-1-ynyl-1-methylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-ynyl-1-methylpyrrolidine is sourced from PubChem (CID 77405120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).