3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol

C10H18N2O — CID 134524513

IUPAC3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol
SMILESC/C=C(\C=C/NC)C1(O)CCNC1
InChIInChI=1S/C10H18N2O/c1-3-9(4-6-11-2)10(13)5-7-12-8-10/h3-4,6,11-13H,5,7-8H2,1-2H3/b6-4-,9-3+
InChIKeyFNTAWDNCXRBYOI-ALQLSLDWSA-N
MW182.27 g/mol
LogP0.39
Rot. Bonds3

About 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol

3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol (PubChem CID 134524513) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol
PubChem CID134524513
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol
SMILESC/C=C(\C=C/NC)C1(O)CCNC1
InChIInChI=1S/C10H18N2O/c1-3-9(4-6-11-2)10(13)5-7-12-8-10/h3-4,6,11-13H,5,7-8H2,1-2H3/b6-4-,9-3+
InChIKeyFNTAWDNCXRBYOI-ALQLSLDWSA-N
XLogP0.39
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol (CID 134524513) is 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol is C/C=C(\C=C/NC)C1(O)CCNC1.
What is the InChIKey of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol?
The InChIKey is FNTAWDNCXRBYOI-ALQLSLDWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-9(4-6-11-2)10(13)5-7-12-8-10/h3-4,6,11-13H,5,7-8H2,1-2H3/b6-4-,9-3+.
What are the key properties of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol?
3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol has a molecular weight of 182.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134524513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).