2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione

C16H26N2O2 — CID 177039206

IUPAC2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/CC)N1CCC(=O)NC1=O.CC(C)C
InChIInChI=1S/C12H16N2O2.C4H10/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16;1-4(2)3/h4-7H,2-3,8-9H2,1H3,(H,13,15,16);4H,1-3H3/b7-5-,10-6+;
InChIKeyBTTGFZVPPGDFTN-RQLYHSFASA-N
MW278.40 g/mol
LogP3.63
Rot. Bonds4

About 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione

2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 177039206) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
PubChem CID177039206
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/CC)N1CCC(=O)NC1=O.CC(C)C
InChIInChI=1S/C12H16N2O2.C4H10/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16;1-4(2)3/h4-7H,2-3,8-9H2,1H3,(H,13,15,16);4H,1-3H3/b7-5-,10-6+;
InChIKeyBTTGFZVPPGDFTN-RQLYHSFASA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(4-Methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
CID 70531797
2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide
CID 71019134
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
1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 134553753
4a,5-dihydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415549
4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415558
1,4a,5,7-Tetrahydropyrimido[4,5-a]pyrrolizine-2,4-dione
CID 141415579
ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
CID 142360228

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (CID 177039206) is 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is C=C/C=C(\C=C/CC)N1CCC(=O)NC1=O.CC(C)C.
What is the InChIKey of 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is BTTGFZVPPGDFTN-RQLYHSFASA-N. The full InChI is InChI=1S/C12H16N2O2.C4H10/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16;1-4(2)3/h4-7H,2-3,8-9H2,1H3,(H,13,15,16);4H,1-3H3/b7-5-,10-6+;.
What are the key properties of 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 278.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177039206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).