1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine

C13H21N — CID 102230508

IUPAC1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine
SMILESC#C[C@H](C1CCCCC1)N1CCCC1
InChIInChI=1S/C13H21N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h1,12-13H,3-11H2/t13-/m1/s1
InChIKeyANCWOKGOGCJWDD-CYBMUJFWSA-N
MW191.32 g/mol
LogP2.66
Rot. Bonds2

About 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine

1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine (PubChem CID 102230508) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine
PubChem CID102230508
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine
SMILESC#C[C@H](C1CCCCC1)N1CCCC1
InChIInChI=1S/C13H21N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h1,12-13H,3-11H2/t13-/m1/s1
InChIKeyANCWOKGOGCJWDD-CYBMUJFWSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine?
The IUPAC name of 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine (CID 102230508) is 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine.
What is the SMILES notation for 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine?
The canonical SMILES for 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine is C#C[C@H](C1CCCCC1)N1CCCC1.
What is the InChIKey of 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine?
The InChIKey is ANCWOKGOGCJWDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h1,12-13H,3-11H2/t13-/m1/s1.
What are the key properties of 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine?
1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine is sourced from PubChem (CID 102230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).