(E)-N-(2-methylprop-2-enyl)hex-2-enamide

C10H17NO — CID 177639150

IUPAC(E)-N-(2-methylprop-2-enyl)hex-2-enamide
SMILESCCC/C=C/C(=O)NCC(=C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h6-7H,2,4-5,8H2,1,3H3,(H,11,12)/b7-6+
InChIKeyGMKFNDUCVLLISK-VOTSOKGWSA-N
MW167.25 g/mol
LogP2.60
Rot. Bonds5

About (E)-N-(2-methylprop-2-enyl)hex-2-enamide

(E)-N-(2-methylprop-2-enyl)hex-2-enamide (PubChem CID 177639150) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-N-(2-methylprop-2-enyl)hex-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylprop-2-enyl)hex-2-enamide
PubChem CID177639150
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-N-(2-methylprop-2-enyl)hex-2-enamide
SMILESCCC/C=C/C(=O)NCC(=C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h6-7H,2,4-5,8H2,1,3H3,(H,11,12)/b7-6+
InChIKeyGMKFNDUCVLLISK-VOTSOKGWSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylprop-2-enyl)hex-2-enamide?
The IUPAC name of (E)-N-(2-methylprop-2-enyl)hex-2-enamide (CID 177639150) is (E)-N-(2-methylprop-2-enyl)hex-2-enamide.
What is the SMILES notation for (E)-N-(2-methylprop-2-enyl)hex-2-enamide?
The canonical SMILES for (E)-N-(2-methylprop-2-enyl)hex-2-enamide is CCC/C=C/C(=O)NCC(=C)C.
What is the InChIKey of (E)-N-(2-methylprop-2-enyl)hex-2-enamide?
The InChIKey is GMKFNDUCVLLISK-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h6-7H,2,4-5,8H2,1,3H3,(H,11,12)/b7-6+.
What are the key properties of (E)-N-(2-methylprop-2-enyl)hex-2-enamide?
(E)-N-(2-methylprop-2-enyl)hex-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylprop-2-enyl)hex-2-enamide is sourced from PubChem (CID 177639150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).