(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine

C12H21NO — CID 11019768

IUPAC(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11/h6,12H,2-5,7-10H2,1H3/t12-/m0/s1
InChIKeyDCPZDNDFIJIUHP-LBPRGKRZSA-N
MW195.31 g/mol
LogP2.56
Rot. Bonds3

About (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine (PubChem CID 11019768) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
PubChem CID11019768
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11/h6,12H,2-5,7-10H2,1H3/t12-/m0/s1
InChIKeyDCPZDNDFIJIUHP-LBPRGKRZSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine (CID 11019768) is (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is DCPZDNDFIJIUHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11/h6,12H,2-5,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 11019768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).