(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine

C11H17NO — CID 142028571

IUPAC(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine
SMILESC=C/C=C(\C=C)CO[C@@H]1CCNC1
InChIInChI=1S/C11H17NO/c1-3-5-10(4-2)9-13-11-6-7-12-8-11/h3-5,11-12H,1-2,6-9H2/b10-5+/t11-/m1/s1
InChIKeyKQEFADPUTVGJNI-IGLBNKAOSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds5

About (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine

(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine (PubChem CID 142028571) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine
PubChem CID142028571
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine
SMILESC=C/C=C(\C=C)CO[C@@H]1CCNC1
InChIInChI=1S/C11H17NO/c1-3-5-10(4-2)9-13-11-6-7-12-8-11/h3-5,11-12H,1-2,6-9H2/b10-5+/t11-/m1/s1
InChIKeyKQEFADPUTVGJNI-IGLBNKAOSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
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

3-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
CID 70973198
ethane;3-[(Z,2E)-2-prop-2-enylidenehex-3-enoxy]pyrrolidine;1,1,1-trifluoroethane
CID 166100740
3-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy]pyrrolidine
CID 166100988
2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride
CID 122669063
2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole
CID 122669064
3-Hexa-1,3,5-trien-3-yloxypyrrolidine
CID 123371130
(Z,3E)-N-ethyl-3-ethylidene-2-methoxyhept-4-en-1-amine
CID 143489420
(2S,3E)-3-ethenyl-N-ethyl-2-methoxyhexa-3,5-dien-1-amine
CID 143659400
3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine
CID 144756159
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypyrrolidine
CID 156375703
3-[(3-Methylbut-2-en-1-yl)oxy]pyrrolidine
CID 62328616
3-[(E)-but-2-enoxy]pyrrolidine
CID 62328784

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine?
The IUPAC name of (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine (CID 142028571) is (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine.
What is the SMILES notation for (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine?
The canonical SMILES for (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine is C=C/C=C(\C=C)CO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine?
The InChIKey is KQEFADPUTVGJNI-IGLBNKAOSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-10(4-2)9-13-11-6-7-12-8-11/h3-5,11-12H,1-2,6-9H2/b10-5+/t11-/m1/s1.
What are the key properties of (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine?
(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine is sourced from PubChem (CID 142028571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).