(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine

C13H23N — CID 146163346

IUPAC(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeySOFMOBHPRPZDFY-ZDUSSCGKSA-N
MW193.33 g/mol
LogP3.56
Rot. Bonds2

About (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine

(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine (PubChem CID 146163346) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
PubChem CID146163346
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeySOFMOBHPRPZDFY-ZDUSSCGKSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine (CID 146163346) is (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
The InChIKey is SOFMOBHPRPZDFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine?
(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 146163346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).