[(3E)-hexa-1,3,5-trien-3-yl]urea

C7H10N2O — CID 143228458

IUPAC[(3E)-hexa-1,3,5-trien-3-yl]urea
SMILESC=C/C=C(\C=C)NC(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,1-2H2,(H3,8,9,10)/b6-5+
InChIKeyURWQQGWBJPRCGE-AATRIKPKSA-N
MW138.17 g/mol
LogP0.91
Rot. Bonds3

About [(3E)-hexa-1,3,5-trien-3-yl]urea

[(3E)-hexa-1,3,5-trien-3-yl]urea (PubChem CID 143228458) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is [(3E)-hexa-1,3,5-trien-3-yl]urea.

Molecular Properties

Compound Name[(3E)-hexa-1,3,5-trien-3-yl]urea
PubChem CID143228458
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name[(3E)-hexa-1,3,5-trien-3-yl]urea
SMILESC=C/C=C(\C=C)NC(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,1-2H2,(H3,8,9,10)/b6-5+
InChIKeyURWQQGWBJPRCGE-AATRIKPKSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
ethane;1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
CID 143768486
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
CID 143389329
3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 143657670
N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide
CID 123538587
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]acetic acid
CID 144971158
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
CID 142586076
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2,2,4,4-tetramethylcyclobutyl)urea
CID 166980964
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
but-1-ene;carbamoylurea
CID 174833277

Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]urea?
The IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]urea (CID 143228458) is [(3E)-hexa-1,3,5-trien-3-yl]urea.
What is the SMILES notation for [(3E)-hexa-1,3,5-trien-3-yl]urea?
The canonical SMILES for [(3E)-hexa-1,3,5-trien-3-yl]urea is C=C/C=C(\C=C)NC(N)=O.
What is the InChIKey of [(3E)-hexa-1,3,5-trien-3-yl]urea?
The InChIKey is URWQQGWBJPRCGE-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,1-2H2,(H3,8,9,10)/b6-5+.
What are the key properties of [(3E)-hexa-1,3,5-trien-3-yl]urea?
[(3E)-hexa-1,3,5-trien-3-yl]urea has a molecular weight of 138.17 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3,5-trien-3-yl]urea is sourced from PubChem (CID 143228458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).