N-methoxy-2-methylhex-2-enamide

C8H15NO2 — CID 159177287

IUPACN-methoxy-2-methylhex-2-enamide
SMILESCCCC=C(C)C(=O)NOC
InChIInChI=1S/C8H15NO2/c1-4-5-6-7(2)8(10)9-11-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKMLAZCSRQQETIP-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.41
Rot. Bonds4

About N-methoxy-2-methylhex-2-enamide

N-methoxy-2-methylhex-2-enamide (PubChem CID 159177287) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-methoxy-2-methylhex-2-enamide.

Molecular Properties

Compound NameN-methoxy-2-methylhex-2-enamide
PubChem CID159177287
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-methoxy-2-methylhex-2-enamide
SMILESCCCC=C(C)C(=O)NOC
InChIInChI=1S/C8H15NO2/c1-4-5-6-7(2)8(10)9-11-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKMLAZCSRQQETIP-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-methylhex-2-enoate
CID 5364816
N-chloro-2-methylhex-2-enamide
CID 140536869
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999
2-methylhex-2-enamide;hydrochloride
CID 141109029
bis(2-methylhex-2-enoyloxy)alumanyl 2-methylhex-2-enoate
CID 139616676
N-methoxyhept-3-en-3-amine
CID 90896355
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
2-methylhex-2-enamide;propan-1-amine
CID 174435970
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
methyl (2E,4E,6E)-6-methyldeca-2,4,6-trienoate
CID 132574733
methyl (E)-2-acetylhex-2-enoate
CID 12838651
methyl (E)-2-methylhept-2-enoate
CID 13122847

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylhex-2-enamide?
The IUPAC name of N-methoxy-2-methylhex-2-enamide (CID 159177287) is N-methoxy-2-methylhex-2-enamide.
What is the SMILES notation for N-methoxy-2-methylhex-2-enamide?
The canonical SMILES for N-methoxy-2-methylhex-2-enamide is CCCC=C(C)C(=O)NOC.
What is the InChIKey of N-methoxy-2-methylhex-2-enamide?
The InChIKey is KMLAZCSRQQETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-6-7(2)8(10)9-11-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-methoxy-2-methylhex-2-enamide?
N-methoxy-2-methylhex-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylhex-2-enamide is sourced from PubChem (CID 159177287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).