(3R)-3-ethynyl-1-propan-2-ylpyrrolidine

C9H15N — CID 58029510

IUPAC(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
SMILESC#C[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C9H15N/c1-4-9-5-6-10(7-9)8(2)3/h1,8-9H,5-7H2,2-3H3/t9-/m0/s1
InChIKeyANUDQGYHOGFDTO-VIFPVBQESA-N
MW137.23 g/mol
LogP1.35
Rot. Bonds1

About (3R)-3-ethynyl-1-propan-2-ylpyrrolidine

(3R)-3-ethynyl-1-propan-2-ylpyrrolidine (PubChem CID 58029510) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3R)-3-ethynyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
PubChem CID58029510
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
SMILESC#C[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C9H15N/c1-4-9-5-6-10(7-9)8(2)3/h1,8-9H,5-7H2,2-3H3/t9-/m0/s1
InChIKeyANUDQGYHOGFDTO-VIFPVBQESA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.35
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

3-ethynyl-1-methylpyrrolidine
CID 89319838
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
CID 118965706

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethynyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-ethynyl-1-propan-2-ylpyrrolidine (CID 58029510) is (3R)-3-ethynyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-ethynyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-ethynyl-1-propan-2-ylpyrrolidine is C#C[C@H]1CCN(C(C)C)C1.
What is the InChIKey of (3R)-3-ethynyl-1-propan-2-ylpyrrolidine?
The InChIKey is ANUDQGYHOGFDTO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-5-6-10(7-9)8(2)3/h1,8-9H,5-7H2,2-3H3/t9-/m0/s1.
What are the key properties of (3R)-3-ethynyl-1-propan-2-ylpyrrolidine?
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethynyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58029510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).