1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol

C11H19NO — CID 143653639

IUPAC1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol
SMILESC/C=C\C(=C/C)CN1CCC(O)C1
InChIInChI=1S/C11H19NO/c1-3-5-10(4-2)8-12-7-6-11(13)9-12/h3-5,11,13H,6-9H2,1-2H3/b5-3-,10-4+
InChIKeyMQPOPVHQBKEVQH-FJQHFOHYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds3

About 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol

1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol (PubChem CID 143653639) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol
PubChem CID143653639
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol
SMILESC/C=C\C(=C/C)CN1CCC(O)C1
InChIInChI=1S/C11H19NO/c1-3-5-10(4-2)8-12-7-6-11(13)9-12/h3-5,11,13H,6-9H2,1-2H3/b5-3-,10-4+
InChIKeyMQPOPVHQBKEVQH-FJQHFOHYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
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 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol (CID 143653639) is 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol is C/C=C\C(=C/C)CN1CCC(O)C1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol?
The InChIKey is MQPOPVHQBKEVQH-FJQHFOHYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-10(4-2)8-12-7-6-11(13)9-12/h3-5,11,13H,6-9H2,1-2H3/b5-3-,10-4+.
What are the key properties of 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol?
1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 143653639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).