3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine

C13H23NO — CID 154930709

IUPAC3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine
SMILESCC/C=C(\C=C/C(C)OC)C1CCNC1
InChIInChI=1S/C13H23NO/c1-4-5-12(7-6-11(2)15-3)13-8-9-14-10-13/h5-7,11,13-14H,4,8-10H2,1-3H3/b7-6-,12-5+
InChIKeyIMYJATWPNWUJFO-BZNMCICSSA-N
MW209.33 g/mol
LogP2.52
Rot. Bonds5

About 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine

3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine (PubChem CID 154930709) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine.

Molecular Properties

Compound Name3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine
PubChem CID154930709
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine
SMILESCC/C=C(\C=C/C(C)OC)C1CCNC1
InChIInChI=1S/C13H23NO/c1-4-5-12(7-6-11(2)15-3)13-8-9-14-10-13/h5-7,11,13-14H,4,8-10H2,1-3H3/b7-6-,12-5+
InChIKeyIMYJATWPNWUJFO-BZNMCICSSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl pyrrolidine-3-carboxylate
CID 4114360
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
2-methyl-1-[(3S)-pyrrolidin-3-yl]butan-1-one
CID 126693531
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
ethyl pyrrolidine-3-carboperoxoate
CID 130187223
3-(2-methoxypropyl)piperidin-4-ol
CID 114451812
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
CID 142494932
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
CID 91245652
ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
CID 143994230

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine?
The IUPAC name of 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine (CID 154930709) is 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine.
What is the SMILES notation for 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine?
The canonical SMILES for 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine is CC/C=C(\C=C/C(C)OC)C1CCNC1.
What is the InChIKey of 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine?
The InChIKey is IMYJATWPNWUJFO-BZNMCICSSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-12(7-6-11(2)15-3)13-8-9-14-10-13/h5-7,11,13-14H,4,8-10H2,1-3H3/b7-6-,12-5+.
What are the key properties of 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine?
3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine is sourced from PubChem (CID 154930709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).