(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione

C17H20N2O2 — CID 59950675

IUPAC(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC=C/C=C\C=C1\C=C2C(=O)N(C)C(C)C(=O)N(C)C2=CC1
InChIInChI=1S/C17H20N2O2/c1-5-6-7-8-13-9-10-15-14(11-13)17(21)18(3)12(2)16(20)19(15)4/h5-8,10-12H,1,9H2,2-4H3/b7-6-,13-8+
InChIKeyJPXBUXVLNZZENK-ONVRAGQBSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds2

About (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione

(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 59950675) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID59950675
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC=C/C=C\C=C1\C=C2C(=O)N(C)C(C)C(=O)N(C)C2=CC1
InChIInChI=1S/C17H20N2O2/c1-5-6-7-8-13-9-10-15-14(11-13)17(21)18(3)12(2)16(20)19(15)4/h5-8,10-12H,1,9H2,2-4H3/b7-6-,13-8+
InChIKeyJPXBUXVLNZZENK-ONVRAGQBSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-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

Related Compounds

3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-6-isopropyl-1-methyl-2(1H)-pyridinone
CID 56875133
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
ethane;(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
CID 91539963
4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide
CID 123653952
(6E,7E)-7-[(Z)-but-2-enylidene]-6-ethylidene-1,4-diazepane-2,5-dione
CID 130370289
ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione
CID 142099910
N,N-dimethyl-2-[methyl-[[(5Z)-6-methylidene-5-(2-methylprop-2-enylidene)-2-oxo-3-pyridinyl]methyl]amino]propanamide
CID 155181721
N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55641912
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 65361477
3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 95719897
3-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 95719898

Frequently Asked Questions

What is the IUPAC name of (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione (CID 59950675) is (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione is C=C/C=C\C=C1\C=C2C(=O)N(C)C(C)C(=O)N(C)C2=CC1.
What is the InChIKey of (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is JPXBUXVLNZZENK-ONVRAGQBSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-6-7-8-13-9-10-15-14(11-13)17(21)18(3)12(2)16(20)19(15)4/h5-8,10-12H,1,9H2,2-4H3/b7-6-,13-8+.
What are the key properties of (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione?
(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 284.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 59950675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).