(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine

C13H18N2 — CID 121285254

IUPAC(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine
SMILES[H]/N=C1\C=C/C/C=C\C=C/C(C)N1/C=C\C
InChIInChI=1S/C13H18N2/c1-3-11-15-12(2)9-7-5-4-6-8-10-13(15)14/h3-5,7-12,14H,6H2,1-2H3/b5-4-,9-7-,10-8-,11-3-,14-13+
InChIKeyKOKJJCLKNJKAMG-DDEZZGALSA-N
MW202.30 g/mol
LogP3.26
Rot. Bonds1

About (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine

(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine (PubChem CID 121285254) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine.

Molecular Properties

Compound Name(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine
PubChem CID121285254
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine
SMILES[H]/N=C1\C=C/C/C=C\C=C/C(C)N1/C=C\C
InChIInChI=1S/C13H18N2/c1-3-11-15-12(2)9-7-5-4-6-8-10-13(15)14/h3-5,7-12,14H,6H2,1-2H3/b5-4-,9-7-,10-8-,11-3-,14-13+
InChIKeyKOKJJCLKNJKAMG-DDEZZGALSA-N
XLogP3.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine?
The IUPAC name of (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine (CID 121285254) is (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine.
What is the SMILES notation for (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine?
The canonical SMILES for (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine is [H]/N=C1\C=C/C/C=C\C=C/C(C)N1/C=C\C.
What is the InChIKey of (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine?
The InChIKey is KOKJJCLKNJKAMG-DDEZZGALSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-11-15-12(2)9-7-5-4-6-8-10-13(15)14/h3-5,7-12,14H,6H2,1-2H3/b5-4-,9-7-,10-8-,11-3-,14-13+.
What are the key properties of (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine?
(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine has a molecular weight of 202.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine is sourced from PubChem (CID 121285254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).