(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine

C13H16N2 — CID 134534686

IUPAC(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine
SMILESC=C/C=C1/N=C(C)CN=C(C)/C1=C/C=C
InChIInChI=1S/C13H16N2/c1-5-7-12-11(4)14-9-10(3)15-13(12)8-6-2/h5-8H,1-2,9H2,3-4H3/b12-7-,13-8+
InChIKeyFPCCGOQOMZBXIB-HAKHBUOSSA-N
MW200.28 g/mol
LogP3.10
Rot. Bonds2

About (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine

(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine (PubChem CID 134534686) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine.

Molecular Properties

Compound Name(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine
PubChem CID134534686
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine
SMILESC=C/C=C1/N=C(C)CN=C(C)/C1=C/C=C
InChIInChI=1S/C13H16N2/c1-5-7-12-11(4)14-9-10(3)15-13(12)8-6-2/h5-8H,1-2,9H2,3-4H3/b12-7-,13-8+
InChIKeyFPCCGOQOMZBXIB-HAKHBUOSSA-N
XLogP3.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine?
The IUPAC name of (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine (CID 134534686) is (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine.
What is the SMILES notation for (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine?
The canonical SMILES for (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine is C=C/C=C1/N=C(C)CN=C(C)/C1=C/C=C.
What is the InChIKey of (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine?
The InChIKey is FPCCGOQOMZBXIB-HAKHBUOSSA-N. The full InChI is InChI=1S/C13H16N2/c1-5-7-12-11(4)14-9-10(3)15-13(12)8-6-2/h5-8H,1-2,9H2,3-4H3/b12-7-,13-8+.
What are the key properties of (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine?
(5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine has a molecular weight of 200.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-3,7-dimethyl-5,6-bis(prop-2-enylidene)-2H-1,4-diazepine is sourced from PubChem (CID 134534686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).