(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide

C10H15NO2 — CID 139495856

IUPAC(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
SMILESC=C/C=C(\C=C/C)CCC(=O)NO
InChIInChI=1S/C10H15NO2/c1-3-5-9(6-4-2)7-8-10(12)11-13/h3-6,13H,1,7-8H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyKFRXBUHHPGHYEF-QUNSIMLLSA-N
MW181.23 g/mol
LogP1.96
Rot. Bonds5

About (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide

(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide (PubChem CID 139495856) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
PubChem CID139495856
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
SMILESC=C/C=C(\C=C/C)CCC(=O)NO
InChIInChI=1S/C10H15NO2/c1-3-5-9(6-4-2)7-8-10(12)11-13/h3-6,13H,1,7-8H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyKFRXBUHHPGHYEF-QUNSIMLLSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
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 (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The IUPAC name of (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide (CID 139495856) is (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide.
What is the SMILES notation for (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The canonical SMILES for (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide is C=C/C=C(\C=C/C)CCC(=O)NO.
What is the InChIKey of (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The InChIKey is KFRXBUHHPGHYEF-QUNSIMLLSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-9(6-4-2)7-8-10(12)11-13/h3-6,13H,1,7-8H2,2H3,(H,11,12)/b6-4-,9-5+.
What are the key properties of (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
(4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide has a molecular weight of 181.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-hydroxy-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide is sourced from PubChem (CID 139495856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).