1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea

C10H14N2O2 — CID 130471238

IUPAC1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea
SMILESC=C/C=C(\C=C/C)/C=C/NC(=O)NO
InChIInChI=1S/C10H14N2O2/c1-3-5-9(6-4-2)7-8-11-10(13)12-14/h3-8,14H,1H2,2H3,(H2,11,12,13)/b6-4-,8-7+,9-5+
InChIKeyAUXVQKQHSUOTGI-XMORXVDMSA-N
MW194.23 g/mol
LogP1.88
Rot. Bonds4

About 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea

1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea (PubChem CID 130471238) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea
PubChem CID130471238
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea
SMILESC=C/C=C(\C=C/C)/C=C/NC(=O)NO
InChIInChI=1S/C10H14N2O2/c1-3-5-9(6-4-2)7-8-11-10(13)12-14/h3-8,14H,1H2,2H3,(H2,11,12,13)/b6-4-,8-7+,9-5+
InChIKeyAUXVQKQHSUOTGI-XMORXVDMSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea?
The IUPAC name of 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea (CID 130471238) is 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea.
What is the SMILES notation for 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea?
The canonical SMILES for 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea is C=C/C=C(\C=C/C)/C=C/NC(=O)NO.
What is the InChIKey of 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea?
The InChIKey is AUXVQKQHSUOTGI-XMORXVDMSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-9(6-4-2)7-8-11-10(13)12-14/h3-8,14H,1H2,2H3,(H2,11,12,13)/b6-4-,8-7+,9-5+.
What are the key properties of 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea?
1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea has a molecular weight of 194.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea is sourced from PubChem (CID 130471238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).