(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine

C15H29NO — CID 10823923

IUPAC(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine
SMILESCC/C(=C/[C@H](C)C(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO/c1-6-14(10-13(4)12(2)3)16-9-7-8-15(16)11-17-5/h10,12-13,15H,6-9,11H2,1-5H3/b14-10-/t13-,15-/m0/s1
InChIKeyXACAOZGMGHEFBU-LOUBTMGTSA-N
MW239.40 g/mol
LogP3.68
Rot. Bonds6

About (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine

(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine (PubChem CID 10823923) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine
PubChem CID10823923
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine
SMILESCC/C(=C/[C@H](C)C(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO/c1-6-14(10-13(4)12(2)3)16-9-7-8-15(16)11-17-5/h10,12-13,15H,6-9,11H2,1-5H3/b14-10-/t13-,15-/m0/s1
InChIKeyXACAOZGMGHEFBU-LOUBTMGTSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 70315088
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine (CID 10823923) is (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine is CC/C(=C/[C@H](C)C(C)C)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is XACAOZGMGHEFBU-LOUBTMGTSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-14(10-13(4)12(2)3)16-9-7-8-15(16)11-17-5/h10,12-13,15H,6-9,11H2,1-5H3/b14-10-/t13-,15-/m0/s1.
What are the key properties of (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine?
(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 10823923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).