ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione

C13H18N2O2 — CID 176935128

IUPACethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C1/C=CC(N2CCC(=O)NC2=O)=C1.CC
InChIInChI=1S/C11H12N2O2.C2H6/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15;1-2/h2-4,7H,5-6H2,1H3,(H,12,14,15);1-2H3/b8-2-;
InChIKeyBHVPRWGCOLEANE-WENINEFDSA-N
MW234.30 g/mol
LogP2.35
Rot. Bonds1

About ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione

ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione (PubChem CID 176935128) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
PubChem CID176935128
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C1/C=CC(N2CCC(=O)NC2=O)=C1.CC
InChIInChI=1S/C11H12N2O2.C2H6/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15;1-2/h2-4,7H,5-6H2,1H3,(H,12,14,15);1-2H3/b8-2-;
InChIKeyBHVPRWGCOLEANE-WENINEFDSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
5-[2-(Diethylamino)cyclohepta-2,4,6-trien-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 11255506
(5Z)-5-[(2Z)-2-[(E)-3-(diethylamino)prop-1-enyl]penta-2,4-dienylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 2393305
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1,3-diazinan-2-one
CID 89151733
6-Ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione
CID 91565196
3-(1-Methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide
CID 123239471
1-Ethyl-5-(4-propylideneocta-2,5,7-trienylidene)-1,3-diazinane-2,4,6-trione
CID 123359534
3-amino-N-[3-(6-methyl-2-oxo-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 123838558
1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione
CID 130441723
(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 130441907
1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 134553753

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione (CID 176935128) is ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione is C/C=C1/C=CC(N2CCC(=O)NC2=O)=C1.CC.
What is the InChIKey of ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The InChIKey is BHVPRWGCOLEANE-WENINEFDSA-N. The full InChI is InChI=1S/C11H12N2O2.C2H6/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15;1-2/h2-4,7H,5-6H2,1H3,(H,12,14,15);1-2H3/b8-2-;.
What are the key properties of ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione has a molecular weight of 234.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176935128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).