7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol

C16H26N2O2 — CID 54606271

IUPAC7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol
SMILESC=C1CCN2CCC(O)C12.C=C1CCN2CCC(O)C12
InChIInChI=1S/2C8H13NO/c2*1-6-2-4-9-5-3-7(10)8(6)9/h2*7-8,10H,1-5H2
InChIKeyIEKXCSHZRWNPLP-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.76
Rot. Bonds

About 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol

7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol (PubChem CID 54606271) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol
PubChem CID54606271
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol
SMILESC=C1CCN2CCC(O)C12.C=C1CCN2CCC(O)C12
InChIInChI=1S/2C8H13NO/c2*1-6-2-4-9-5-3-7(10)8(6)9/h2*7-8,10H,1-5H2
InChIKeyIEKXCSHZRWNPLP-UHFFFAOYSA-N
XLogP0.76
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol (CID 54606271) is 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol is C=C1CCN2CCC(O)C12.C=C1CCN2CCC(O)C12.
What is the InChIKey of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol?
The InChIKey is IEKXCSHZRWNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13NO/c2*1-6-2-4-9-5-3-7(10)8(6)9/h2*7-8,10H,1-5H2.
What are the key properties of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol?
7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol has a molecular weight of 278.40 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 54606271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).