6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide

C11H20N2O3 — CID 88968694

IUPAC6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide
SMILESC/C=C\C(=O)N(O)CCCCCC(=O)NC
InChIInChI=1S/C11H20N2O3/c1-3-7-11(15)13(16)9-6-4-5-8-10(14)12-2/h3,7,16H,4-6,8-9H2,1-2H3,(H,12,14)/b7-3-
InChIKeyQJBPIPFDTCECQT-CLTKARDFSA-N
MW228.29 g/mol
LogP1.09
Rot. Bonds7

About 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide

6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide (PubChem CID 88968694) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide.

Molecular Properties

Compound Name6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide
PubChem CID88968694
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide
SMILESC/C=C\C(=O)N(O)CCCCCC(=O)NC
InChIInChI=1S/C11H20N2O3/c1-3-7-11(15)13(16)9-6-4-5-8-10(14)12-2/h3,7,16H,4-6,8-9H2,1-2H3,(H,12,14)/b7-3-
InChIKeyQJBPIPFDTCECQT-CLTKARDFSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide?
The IUPAC name of 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide (CID 88968694) is 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide.
What is the SMILES notation for 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide?
The canonical SMILES for 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide is C/C=C\C(=O)N(O)CCCCCC(=O)NC.
What is the InChIKey of 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide?
The InChIKey is QJBPIPFDTCECQT-CLTKARDFSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7-11(15)13(16)9-6-4-5-8-10(14)12-2/h3,7,16H,4-6,8-9H2,1-2H3,(H,12,14)/b7-3-.
What are the key properties of 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide?
6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide has a molecular weight of 228.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-but-2-enoyl]-hydroxyamino]-N-methylhexanamide is sourced from PubChem (CID 88968694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).