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

C15H29NO — CID 10823922

IUPAC(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine
SMILESCCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO/c1-5-8-13(3)11-14(6-2)16-10-7-9-15(16)12-17-4/h11,13,15H,5-10,12H2,1-4H3/b14-11-/t13-,15+/m1/s1
InChIKeyADRAZYBWTQFMBE-KHRZRBRSSA-N
MW239.40 g/mol
LogP3.83
Rot. Bonds7

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

(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine (PubChem CID 10823922) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine
PubChem CID10823922
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine
SMILESCCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO/c1-5-8-13(3)11-14(6-2)16-10-7-9-15(16)12-17-4/h11,13,15H,5-10,12H2,1-4H3/b14-11-/t13-,15+/m1/s1
InChIKeyADRAZYBWTQFMBE-KHRZRBRSSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 10888593
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 15727189
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine (CID 10823922) is (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine is CCC[C@@H](C)/C=C(/CC)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine?
The InChIKey is ADRAZYBWTQFMBE-KHRZRBRSSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-8-13(3)11-14(6-2)16-10-7-9-15(16)12-17-4/h11,13,15H,5-10,12H2,1-4H3/b14-11-/t13-,15+/m1/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.83, 7 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-methyloct-3-en-3-yl]pyrrolidine is sourced from PubChem (CID 10823922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).