(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine

C10H17NO — CID 143435395

IUPAC(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
SMILESC=C(/C=C\C)OC[C@H]1CCCN1
InChIInChI=1S/C10H17NO/c1-3-5-9(2)12-8-10-6-4-7-11-10/h3,5,10-11H,2,4,6-8H2,1H3/b5-3-/t10-/m1/s1
InChIKeyIYXKLHRKCFZDRW-TZGMSPROSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine

(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine (PubChem CID 143435395) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
PubChem CID143435395
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
SMILESC=C(/C=C\C)OC[C@H]1CCCN1
InChIInChI=1S/C10H17NO/c1-3-5-9(2)12-8-10-6-4-7-11-10/h3,5,10-11H,2,4,6-8H2,1H3/b5-3-/t10-/m1/s1
InChIKeyIYXKLHRKCFZDRW-TZGMSPROSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(prop-2-enoxymethyl)pyrrolidine
CID 39063094
(2R)-2-(prop-2-enoxymethyl)pyrrolidine
CID 57985002
2-(Prop-2-enoxymethyl)pyrrolidine
CID 62333040
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216
1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
CID 142360194
ethane;2-[[(2Z,5E)-5-[(2E,4Z)-hepta-2,4,6-trienoxy]octa-2,5,7-trienoxy]methyl]pyrrolidine
CID 143435369
(2R)-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxymethyl]pyrrolidine
CID 144029622
2-[[(2E)-5-methylhexa-2,4-dien-2-yl]oxymethyl]pyrrolidine
CID 144244266
ethane;(2R)-2-[[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxymethyl]pyrrolidine
CID 145472648
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-[[(E)-but-2-enoxy]methyl]pyrrolidine
CID 62332852
2-(But-3-en-2-yloxymethyl)pyrrolidine
CID 62382130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The IUPAC name of (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine (CID 143435395) is (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine is C=C(/C=C\C)OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The InChIKey is IYXKLHRKCFZDRW-TZGMSPROSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-9(2)12-8-10-6-4-7-11-10/h3,5,10-11H,2,4,6-8H2,1H3/b5-3-/t10-/m1/s1.
What are the key properties of (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine is sourced from PubChem (CID 143435395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).