ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione

C19H36N2O2 — CID 142099910

IUPACethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione
SMILESC=C/C=C1C(=C/C)\C(=O)N(C)C(C)C(=O)N\1C.CC.CC.CC
InChIInChI=1S/C13H18N2O2.3C2H6/c1-6-8-11-10(7-2)13(17)14(4)9(3)12(16)15(11)5;3*1-2/h6-9H,1H2,2-5H3;3*1-2H3/b10-7+,11-8+;;;
InChIKeyHKIOAOSNSPKRBA-DJWCYINVSA-N
MW324.51 g/mol
LogP4.40
Rot. Bonds1

About ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione

ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione (PubChem CID 142099910) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Nameethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione
PubChem CID142099910
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nameethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione
SMILESC=C/C=C1C(=C/C)\C(=O)N(C)C(C)C(=O)N\1C.CC.CC.CC
InChIInChI=1S/C13H18N2O2.3C2H6/c1-6-8-11-10(7-2)13(17)14(4)9(3)12(16)15(11)5;3*1-2/h6-9H,1H2,2-5H3;3*1-2H3/b10-7+,11-8+;;;
InChIKeyHKIOAOSNSPKRBA-DJWCYINVSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione?
The IUPAC name of ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione (CID 142099910) is ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione.
What is the SMILES notation for ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione?
The canonical SMILES for ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione is C=C/C=C1C(=C/C)\C(=O)N(C)C(C)C(=O)N\1C.CC.CC.CC.
What is the InChIKey of ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione?
The InChIKey is HKIOAOSNSPKRBA-DJWCYINVSA-N. The full InChI is InChI=1S/C13H18N2O2.3C2H6/c1-6-8-11-10(7-2)13(17)14(4)9(3)12(16)15(11)5;3*1-2/h6-9H,1H2,2-5H3;3*1-2H3/b10-7+,11-8+;;;.
What are the key properties of ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione?
ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione has a molecular weight of 324.51 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione is sourced from PubChem (CID 142099910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).