(2R)-2-methyl-1-prop-2-ynylpyrrolidine

C8H13N — CID 142046543

IUPAC(2R)-2-methyl-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC[C@H]1C
InChIInChI=1S/C8H13N/c1-3-6-9-7-4-5-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyXQYDYXCTFDKOMH-MRVPVSSYSA-N
MW123.20 g/mol
LogP1.10
Rot. Bonds1

About (2R)-2-methyl-1-prop-2-ynylpyrrolidine

(2R)-2-methyl-1-prop-2-ynylpyrrolidine (PubChem CID 142046543) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R)-2-methyl-1-prop-2-ynylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-prop-2-ynylpyrrolidine
PubChem CID142046543
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R)-2-methyl-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC[C@H]1C
InChIInChI=1S/C8H13N/c1-3-6-9-7-4-5-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyXQYDYXCTFDKOMH-MRVPVSSYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.10
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

1,2-Dimethylpyrrolidine
CID 102483
1-Ethyl-2-Methylpyrrolidine
CID 566953
1-Butyl-2-methylpyrrolidine
CID 10909668
2-Ethynyl-1-methylpyrrolidine hydrochloride
CID 138991173
2-(But-3-yn-1-yl)-1-methylpyrrolidine
CID 145869410
(2S)-1,2-dimethylpyrrolidine
CID 11434918
r-1,2-Dimethylpyrrolidine
CID 12461836
N-(1-pentyl)-2-methylpyrrolidine
CID 54438045
N-(2-pentyl)-2-methylpyrrolidine
CID 126990106
2-Ethynyl-1-methylpyrrolidine
CID 53893251
2-Ethynyl-4-fluoro-1-methylpyrrolidine
CID 156380415
2-Methyl-1-propyl-pyrrolidine
CID 12461837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-prop-2-ynylpyrrolidine?
The IUPAC name of (2R)-2-methyl-1-prop-2-ynylpyrrolidine (CID 142046543) is (2R)-2-methyl-1-prop-2-ynylpyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-prop-2-ynylpyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-prop-2-ynylpyrrolidine is C#CCN1CCC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-prop-2-ynylpyrrolidine?
The InChIKey is XQYDYXCTFDKOMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-6-9-7-4-5-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-1-prop-2-ynylpyrrolidine?
(2R)-2-methyl-1-prop-2-ynylpyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-prop-2-ynylpyrrolidine is sourced from PubChem (CID 142046543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).