(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol

C12H19NO — CID 143526528

IUPAC(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)[C@H]1CCCN1
InChIInChI=1S/C12H19NO/c1-3-5-7-10(4-2)12(14)11-8-6-9-13-11/h3-5,7,11-14H,1,6,8-9H2,2H3/b7-5-,10-4+/t11-,12?/m1/s1
InChIKeyJPYORBWHMSUKJK-LCDGQGMJSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds4

About (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol

(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol (PubChem CID 143526528) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol
PubChem CID143526528
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol
SMILESC=C/C=C\C(=C/C)C(O)[C@H]1CCCN1
InChIInChI=1S/C12H19NO/c1-3-5-7-10(4-2)12(14)11-8-6-9-13-11/h3-5,7,11-14H,1,6,8-9H2,2H3/b7-5-,10-4+/t11-,12?/m1/s1
InChIKeyJPYORBWHMSUKJK-LCDGQGMJSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4E,6Z)-5-fluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
CID 170093324
(E)-1-pyrrolidin-2-yloct-1-en-3-ol
CID 21516672
1-Pyrrolidin-2-yloct-1-en-3-ol
CID 53990541
[5-[(4-Aminocyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 123158820
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062
(2R,3R,4E)-4-ethenyl-2-(methylamino)hepta-4,6-dien-3-ol
CID 129238834
(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
CID 134568838
4-Ethylidene-2-(methylamino)hept-5-en-3-ol
CID 137384240
(1R,3Z,5E)-5-methoxy-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 139505337
2-Amino-1-[4-(pyrrolidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]propan-1-ol
CID 141818115
(4E,5Z)-4-ethylidene-2-(methylamino)octa-5,7-dien-3-ol
CID 141835623
(R)-1,2-dihydropyridin-5-yl-[(2S)-pyrrolidin-2-yl]methanol;ethane
CID 141855115

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol (CID 143526528) is (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol is C=C/C=C\C(=C/C)C(O)[C@H]1CCCN1.
What is the InChIKey of (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol?
The InChIKey is JPYORBWHMSUKJK-LCDGQGMJSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-7-10(4-2)12(14)11-8-6-9-13-11/h3-5,7,11-14H,1,6,8-9H2,2H3/b7-5-,10-4+/t11-,12?/m1/s1.
What are the key properties of (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol?
(2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-1-[(2R)-pyrrolidin-2-yl]hexa-3,5-dien-1-ol is sourced from PubChem (CID 143526528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).