(Z)-4-imino-5-methylhex-2-en-2-olate

C7H12NO- — CID 143707882

IUPAC(Z)-4-imino-5-methylhex-2-en-2-olate
SMILES[H]/N=C(/C=C(/C)[O-])C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7(8)4-6(3)9/h4-5,8-9H,1-3H3/p-1/b6-4-,8-7-
InChIKeyMTZWWBOAZHNOMY-MOIRPGTBSA-M
MW126.18 g/mol
LogP0.93
Rot. Bonds2

About (Z)-4-imino-5-methylhex-2-en-2-olate

(Z)-4-imino-5-methylhex-2-en-2-olate (PubChem CID 143707882) has the molecular formula C7H12NO- and a molecular weight of 126.18 g/mol. Its IUPAC name is (Z)-4-imino-5-methylhex-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-imino-5-methylhex-2-en-2-olate
PubChem CID143707882
Molecular FormulaC7H12NO-
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name(Z)-4-imino-5-methylhex-2-en-2-olate
SMILES[H]/N=C(/C=C(/C)[O-])C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7(8)4-6(3)9/h4-5,8-9H,1-3H3/p-1/b6-4-,8-7-
InChIKeyMTZWWBOAZHNOMY-MOIRPGTBSA-M
XLogP0.93
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-iminopent-2-en-2-olate
CID 58104794
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
3,4,6-trimethyl-4H-oxazine
CID 123445894
(Z)-2-methylhex-4-en-3-imine
CID 126675168
[(Z)-4-iminohex-2-en-2-yl]oxidanium
CID 143043472
(Z)-5-iminohex-3-en-3-olate
CID 177418479

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-5-methylhex-2-en-2-olate?
The IUPAC name of (Z)-4-imino-5-methylhex-2-en-2-olate (CID 143707882) is (Z)-4-imino-5-methylhex-2-en-2-olate.
What is the SMILES notation for (Z)-4-imino-5-methylhex-2-en-2-olate?
The canonical SMILES for (Z)-4-imino-5-methylhex-2-en-2-olate is [H]/N=C(/C=C(/C)[O-])C(C)C.
What is the InChIKey of (Z)-4-imino-5-methylhex-2-en-2-olate?
The InChIKey is MTZWWBOAZHNOMY-MOIRPGTBSA-M. The full InChI is InChI=1S/C7H13NO/c1-5(2)7(8)4-6(3)9/h4-5,8-9H,1-3H3/p-1/b6-4-,8-7-.
What are the key properties of (Z)-4-imino-5-methylhex-2-en-2-olate?
(Z)-4-imino-5-methylhex-2-en-2-olate has a molecular weight of 126.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-5-methylhex-2-en-2-olate is sourced from PubChem (CID 143707882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).