(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine

C10H12N2 — CID 67778580

IUPAC(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine
SMILES[H]/N=C1\C=C/C=C\C=C/N1CC=C
InChIInChI=1S/C10H12N2/c1-2-8-12-9-6-4-3-5-7-10(12)11/h2-7,9,11H,1,8H2/b4-3-,7-5-,9-6-,11-10+
InChIKeyOTODJYVOUAJQJB-XWOSTANBSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds2

About (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine

(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine (PubChem CID 67778580) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine
PubChem CID67778580
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine
SMILES[H]/N=C1\C=C/C=C\C=C/N1CC=C
InChIInChI=1S/C10H12N2/c1-2-8-12-9-6-4-3-5-7-10(12)11/h2-7,9,11H,1,8H2/b4-3-,7-5-,9-6-,11-10+
InChIKeyOTODJYVOUAJQJB-XWOSTANBSA-N
XLogP2.09
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine?
The IUPAC name of (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine (CID 67778580) is (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine.
What is the SMILES notation for (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine?
The canonical SMILES for (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine is [H]/N=C1\C=C/C=C\C=C/N1CC=C.
What is the InChIKey of (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine?
The InChIKey is OTODJYVOUAJQJB-XWOSTANBSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-12-9-6-4-3-5-7-10(12)11/h2-7,9,11H,1,8H2/b4-3-,7-5-,9-6-,11-10+.
What are the key properties of (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine?
(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine has a molecular weight of 160.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine is sourced from PubChem (CID 67778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).