ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen

C10H25N3O — CID 143290787

IUPACethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
SMILESC.C=C/C=C(\C=N\C)NC(N)=O.CC.[H][H].[H][H]
InChIInChI=1S/C7H11N3O.C2H6.CH4.2H2/c1-3-4-6(5-9-2)10-7(8)11;1-2;;;/h3-5H,1H2,2H3,(H3,8,10,11);1-2H3;1H4;2*1H/b6-4+,9-5+;;;;
InChIKeyTZELLPNGSJYRMK-JEXRIVNGSA-N
MW203.33 g/mol
LogP2.58
Rot. Bonds3

About ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen

ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen (PubChem CID 143290787) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
PubChem CID143290787
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Nameethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
SMILESC.C=C/C=C(\C=N\C)NC(N)=O.CC.[H][H].[H][H]
InChIInChI=1S/C7H11N3O.C2H6.CH4.2H2/c1-3-4-6(5-9-2)10-7(8)11;1-2;;;/h3-5H,1H2,2H3,(H3,8,10,11);1-2H3;1H4;2*1H/b6-4+,9-5+;;;;
InChIKeyTZELLPNGSJYRMK-JEXRIVNGSA-N
XLogP2.58
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143228458
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
5-(4-cyanophenyl)-N-[(2E)-1-methyliminopenta-2,4-dien-2-yl]thiophene-2-carboxamide
CID 155040707
ethane;1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
CID 143768486
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
but-1-ene;carbamoylurea
CID 174833277
(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen
CID 178168575
(3E,5E)-5-amino-3-ethenyl-2-oxoocta-3,5,7-trienoic acid;ethane
CID 143019358
1-[[(2E)-2-(methylamino)penta-2,4-dienylidene]amino]propan-2-one
CID 143480821

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen?
The IUPAC name of ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen (CID 143290787) is ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen.
What is the SMILES notation for ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen?
The canonical SMILES for ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen is C.C=C/C=C(\C=N\C)NC(N)=O.CC.[H][H].[H][H].
What is the InChIKey of ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen?
The InChIKey is TZELLPNGSJYRMK-JEXRIVNGSA-N. The full InChI is InChI=1S/C7H11N3O.C2H6.CH4.2H2/c1-3-4-6(5-9-2)10-7(8)11;1-2;;;/h3-5H,1H2,2H3,(H3,8,10,11);1-2H3;1H4;2*1H/b6-4+,9-5+;;;;.
What are the key properties of ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen?
ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen has a molecular weight of 203.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen is sourced from PubChem (CID 143290787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).