3-propyl-1-prop-2-ynylpyrrolidine

C10H17N — CID 115667587

IUPAC3-propyl-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC(CCC)C1
InChIInChI=1S/C10H17N/c1-3-5-10-6-8-11(9-10)7-4-2/h2,10H,3,5-9H2,1H3
InChIKeyLEQSFKRGYYCVAF-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.74
Rot. Bonds3

About 3-propyl-1-prop-2-ynylpyrrolidine

3-propyl-1-prop-2-ynylpyrrolidine (PubChem CID 115667587) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-propyl-1-prop-2-ynylpyrrolidine.

Molecular Properties

Compound Name3-propyl-1-prop-2-ynylpyrrolidine
PubChem CID115667587
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-propyl-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC(CCC)C1
InChIInChI=1S/C10H17N/c1-3-5-10-6-8-11(9-10)7-4-2/h2,10H,3,5-9H2,1H3
InChIKeyLEQSFKRGYYCVAF-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.74
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

1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
3-(1-prop-2-ynylpiperidin-4-yl)propanenitrile
CID 131003081
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
1-benzyl-3-propylpyrrolidine
CID 12648211
1-methylidene-4-[[(3S)-3-propylpyrrolidin-1-yl]methyl]piperidin-1-ium
CID 165137979
1-butyl-3-propylpyrrolidine;methanesulfonic acid
CID 175583831

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-prop-2-ynylpyrrolidine?
The IUPAC name of 3-propyl-1-prop-2-ynylpyrrolidine (CID 115667587) is 3-propyl-1-prop-2-ynylpyrrolidine.
What is the SMILES notation for 3-propyl-1-prop-2-ynylpyrrolidine?
The canonical SMILES for 3-propyl-1-prop-2-ynylpyrrolidine is C#CCN1CCC(CCC)C1.
What is the InChIKey of 3-propyl-1-prop-2-ynylpyrrolidine?
The InChIKey is LEQSFKRGYYCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-10-6-8-11(9-10)7-4-2/h2,10H,3,5-9H2,1H3.
What are the key properties of 3-propyl-1-prop-2-ynylpyrrolidine?
3-propyl-1-prop-2-ynylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-prop-2-ynylpyrrolidine is sourced from PubChem (CID 115667587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).