ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol

C13H23NO — CID 143992014

IUPACethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)C1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)8-12-7-6-11(13)9-12;1-2/h3-5,11,13H,1-2,6-9H2;1-2H3/b10-5+;
InChIKeyXHAPUKYQZRUKAP-OAZHBLANSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds4

About ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol

ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol (PubChem CID 143992014) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol
PubChem CID143992014
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)C1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)8-12-7-6-11(13)9-12;1-2/h3-5,11,13H,1-2,6-9H2;1-2H3/b10-5+;
InChIKeyXHAPUKYQZRUKAP-OAZHBLANSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol?
The IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol (CID 143992014) is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol?
The canonical SMILES for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol is C=C/C=C(\C=C)CN1CCC(O)C1.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol?
The InChIKey is XHAPUKYQZRUKAP-OAZHBLANSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-3-5-10(4-2)8-12-7-6-11(13)9-12;1-2/h3-5,11,13H,1-2,6-9H2;1-2H3/b10-5+;.
What are the key properties of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol?
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol is sourced from PubChem (CID 143992014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).