N-hydroxyhept-2-enamide

C7H13NO2 — CID 54129125

IUPACN-hydroxyhept-2-enamide
SMILESCCCCC=CC(=O)NO
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-6-7(9)8-10/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyNTBVFNDYSIRITE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds4

About N-hydroxyhept-2-enamide

N-hydroxyhept-2-enamide (PubChem CID 54129125) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-hydroxyhept-2-enamide.

Molecular Properties

Compound NameN-hydroxyhept-2-enamide
PubChem CID54129125
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-hydroxyhept-2-enamide
SMILESCCCCC=CC(=O)NO
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-6-7(9)8-10/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyNTBVFNDYSIRITE-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxyhept-2-enamide?
The IUPAC name of N-hydroxyhept-2-enamide (CID 54129125) is N-hydroxyhept-2-enamide.
What is the SMILES notation for N-hydroxyhept-2-enamide?
The canonical SMILES for N-hydroxyhept-2-enamide is CCCCC=CC(=O)NO.
What is the InChIKey of N-hydroxyhept-2-enamide?
The InChIKey is NTBVFNDYSIRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-5-6-7(9)8-10/h5-6,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-hydroxyhept-2-enamide?
N-hydroxyhept-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyhept-2-enamide is sourced from PubChem (CID 54129125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).