(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol

C13H23NO — CID 130373399

IUPAC(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol
SMILESC=C(CCO)CC(C/C=C/C)CN1CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-13(11-14-7-8-14)10-12(2)6-9-15/h3-4,13,15H,2,5-11H2,1H3/b4-3+
InChIKeyYHPMRNPGUPJEGP-ONEGZZNKSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds8

About (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol

(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol (PubChem CID 130373399) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol.

Molecular Properties

Compound Name(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol
PubChem CID130373399
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol
SMILESC=C(CCO)CC(C/C=C/C)CN1CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-13(11-14-7-8-14)10-12(2)6-9-15/h3-4,13,15H,2,5-11H2,1H3/b4-3+
InChIKeyYHPMRNPGUPJEGP-ONEGZZNKSA-N
XLogP2.21
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol?
The IUPAC name of (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol (CID 130373399) is (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol.
What is the SMILES notation for (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol?
The canonical SMILES for (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol is C=C(CCO)CC(C/C=C/C)CN1CC1.
What is the InChIKey of (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol?
The InChIKey is YHPMRNPGUPJEGP-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-13(11-14-7-8-14)10-12(2)6-9-15/h3-4,13,15H,2,5-11H2,1H3/b4-3+.
What are the key properties of (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol?
(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol is sourced from PubChem (CID 130373399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).