(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine

C16H31NO — CID 10824780

IUPAC(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine
SMILESCCCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC
InChIInChI=1S/C16H31NO/c1-5-7-9-14(3)12-15(6-2)17-11-8-10-16(17)13-18-4/h12,14,16H,5-11,13H2,1-4H3/b15-12-/t14-,16+/m1/s1
InChIKeyQGSVIBSOLXSNLN-USTAHWGDSA-N
MW253.43 g/mol
LogP4.22
Rot. Bonds8

About (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine

(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine (PubChem CID 10824780) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine
PubChem CID10824780
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine
SMILESCCCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC
InChIInChI=1S/C16H31NO/c1-5-7-9-14(3)12-15(6-2)17-11-8-10-16(17)13-18-4/h12,14,16H,5-11,13H2,1-4H3/b15-12-/t14-,16+/m1/s1
InChIKeyQGSVIBSOLXSNLN-USTAHWGDSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine (CID 10824780) is (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine is CCCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine?
The InChIKey is QGSVIBSOLXSNLN-USTAHWGDSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-9-14(3)12-15(6-2)17-11-8-10-16(17)13-18-4/h12,14,16H,5-11,13H2,1-4H3/b15-12-/t14-,16+/m1/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine has a molecular weight of 253.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine is sourced from PubChem (CID 10824780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).