(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine

C18H29NO — CID 24796168

IUPAC(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1COC1=CCC[C@]1(C)C1=CCCCC1
InChIInChI=1S/C18H29NO/c1-18(15-8-4-3-5-9-15)12-6-11-17(18)20-14-16-10-7-13-19(16)2/h8,11,16H,3-7,9-10,12-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyDFIKSDUONINHRB-FUHWJXTLSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds4

About (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine

(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine (PubChem CID 24796168) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
PubChem CID24796168
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1COC1=CCC[C@]1(C)C1=CCCCC1
InChIInChI=1S/C18H29NO/c1-18(15-8-4-3-5-9-15)12-6-11-17(18)20-14-16-10-7-13-19(16)2/h8,11,16H,3-7,9-10,12-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyDFIKSDUONINHRB-FUHWJXTLSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine (CID 24796168) is (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine is CN1CCC[C@H]1COC1=CCC[C@]1(C)C1=CCCCC1.
What is the InChIKey of (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine?
The InChIKey is DFIKSDUONINHRB-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(15-8-4-3-5-9-15)12-6-11-17(18)20-14-16-10-7-13-19(16)2/h8,11,16H,3-7,9-10,12-14H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine?
(2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(5R)-5-(cyclohexen-1-yl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine is sourced from PubChem (CID 24796168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).