1-diazo-3-[(E)-pent-1-enyl]urea

C6H10N4O — CID 131235795

IUPAC1-diazo-3-[(E)-pent-1-enyl]urea
SMILESCCC/C=C/NC(=O)N=[N+]=[N-]
InChIInChI=1S/C6H10N4O/c1-2-3-4-5-8-6(11)9-10-7/h4-5H,2-3H2,1H3,(H,8,11)/b5-4+
InChIKeyCWJIIFBZCCGXLR-SNAWJCMRSA-N
MW154.17 g/mol
LogP2.32
Rot. Bonds3

About 1-diazo-3-[(E)-pent-1-enyl]urea

1-diazo-3-[(E)-pent-1-enyl]urea (PubChem CID 131235795) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-diazo-3-[(E)-pent-1-enyl]urea.

Molecular Properties

Compound Name1-diazo-3-[(E)-pent-1-enyl]urea
PubChem CID131235795
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-diazo-3-[(E)-pent-1-enyl]urea
SMILESCCC/C=C/NC(=O)N=[N+]=[N-]
InChIInChI=1S/C6H10N4O/c1-2-3-4-5-8-6(11)9-10-7/h4-5H,2-3H2,1H3,(H,8,11)/b5-4+
InChIKeyCWJIIFBZCCGXLR-SNAWJCMRSA-N
XLogP2.32
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide
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(Z)-2-aminooctadec-9-enoyl azide
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N-[(E)-dec-1-enyl]acetamide
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N,N'-bis[(E)-dodec-1-enyl]hexanediamide
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N-propylhex-2-enamide
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(4E,7E)-undeca-4,7-dien-6-one
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(E)-hex-2-enoic acid
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(3E)-nona-3,5-dien-2-one
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CID 71409238

Frequently Asked Questions

What is the IUPAC name of 1-diazo-3-[(E)-pent-1-enyl]urea?
The IUPAC name of 1-diazo-3-[(E)-pent-1-enyl]urea (CID 131235795) is 1-diazo-3-[(E)-pent-1-enyl]urea.
What is the SMILES notation for 1-diazo-3-[(E)-pent-1-enyl]urea?
The canonical SMILES for 1-diazo-3-[(E)-pent-1-enyl]urea is CCC/C=C/NC(=O)N=[N+]=[N-].
What is the InChIKey of 1-diazo-3-[(E)-pent-1-enyl]urea?
The InChIKey is CWJIIFBZCCGXLR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-4-5-8-6(11)9-10-7/h4-5H,2-3H2,1H3,(H,8,11)/b5-4+.
What are the key properties of 1-diazo-3-[(E)-pent-1-enyl]urea?
1-diazo-3-[(E)-pent-1-enyl]urea has a molecular weight of 154.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-3-[(E)-pent-1-enyl]urea is sourced from PubChem (CID 131235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).