(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine

C15H22N2 — CID 89192457

IUPAC(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine
SMILESC=C1CC/C=C\C/N=C(/C2=CCCCC2)N1C
InChIInChI=1S/C15H22N2/c1-13-9-5-4-8-12-16-15(17(13)2)14-10-6-3-7-11-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3/b8-4-,16-15-
InChIKeyQBDHVJNSQKOHKM-CETIGSGPSA-N
MW230.35 g/mol
LogP3.68
Rot. Bonds1

About (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine

(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine (PubChem CID 89192457) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine.

Molecular Properties

Compound Name(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine
PubChem CID89192457
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine
SMILESC=C1CC/C=C\C/N=C(/C2=CCCCC2)N1C
InChIInChI=1S/C15H22N2/c1-13-9-5-4-8-12-16-15(17(13)2)14-10-6-3-7-11-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3/b8-4-,16-15-
InChIKeyQBDHVJNSQKOHKM-CETIGSGPSA-N
XLogP3.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine?
The IUPAC name of (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine (CID 89192457) is (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine.
What is the SMILES notation for (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine?
The canonical SMILES for (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine is C=C1CC/C=C\C/N=C(/C2=CCCCC2)N1C.
What is the InChIKey of (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine?
The InChIKey is QBDHVJNSQKOHKM-CETIGSGPSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-9-5-4-8-12-16-15(17(13)2)14-10-6-3-7-11-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3/b8-4-,16-15-.
What are the key properties of (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine?
(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine has a molecular weight of 230.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine is sourced from PubChem (CID 89192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).