(2R)-2-ethynyl-1,2-dimethylpyrrolidine

C8H13N — CID 146049232

IUPAC(2R)-2-ethynyl-1,2-dimethylpyrrolidine
SMILESC#C[C@@]1(C)CCCN1C
InChIInChI=1S/C8H13N/c1-4-8(2)6-5-7-9(8)3/h1H,5-7H2,2-3H3/t8-/m0/s1
InChIKeyVDQYLHYDLRRNLY-QMMMGPOBSA-N
MW123.20 g/mol
LogP1.10
Rot. Bonds

About (2R)-2-ethynyl-1,2-dimethylpyrrolidine

(2R)-2-ethynyl-1,2-dimethylpyrrolidine (PubChem CID 146049232) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R)-2-ethynyl-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-ethynyl-1,2-dimethylpyrrolidine
PubChem CID146049232
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R)-2-ethynyl-1,2-dimethylpyrrolidine
SMILESC#C[C@@]1(C)CCCN1C
InChIInChI=1S/C8H13N/c1-4-8(2)6-5-7-9(8)3/h1H,5-7H2,2-3H3/t8-/m0/s1
InChIKeyVDQYLHYDLRRNLY-QMMMGPOBSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine
CID 162382841
3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
CID 166144717
1,8-dimethyl-1,8-diazaspiro[3.4]octane
CID 59187033
1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 168910228
(2R)-1,2-dimethyl-2-propan-2-ylpyrrolidine
CID 170383943
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
CID 130291955
2-(1-methoxyethyl)-1,2-dimethylpyrrolidine
CID 168881311
1,2-dimethyl-2-(trifluoromethyl)pyrrolidine
CID 166688559
[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 141207857
2-cyclopentyl-1,2-dimethylpyrrolidine
CID 70478641
2-(difluoromethyl)-1,2-dimethylpiperidine
CID 123383049

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethynyl-1,2-dimethylpyrrolidine?
The IUPAC name of (2R)-2-ethynyl-1,2-dimethylpyrrolidine (CID 146049232) is (2R)-2-ethynyl-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2R)-2-ethynyl-1,2-dimethylpyrrolidine?
The canonical SMILES for (2R)-2-ethynyl-1,2-dimethylpyrrolidine is C#C[C@@]1(C)CCCN1C.
What is the InChIKey of (2R)-2-ethynyl-1,2-dimethylpyrrolidine?
The InChIKey is VDQYLHYDLRRNLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(2)6-5-7-9(8)3/h1H,5-7H2,2-3H3/t8-/m0/s1.
What are the key properties of (2R)-2-ethynyl-1,2-dimethylpyrrolidine?
(2R)-2-ethynyl-1,2-dimethylpyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethynyl-1,2-dimethylpyrrolidine is sourced from PubChem (CID 146049232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).