[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium

C7H12N3O+ — CID 143477267

IUPAC[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
SMILES[H]/N=C(C(N)=O)/C(C)=C\C(C)=[NH2+]
InChIInChI=1S/C7H11N3O/c1-4(3-5(2)8)6(9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/p+1/b4-3-,8-5?,9-6-
InChIKeyDGZSSODGIJBSNJ-BQHTWGRVSA-O
MW154.19 g/mol
LogP-1.34
Rot. Bonds3

About [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium

[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium (PubChem CID 143477267) has the molecular formula C7H12N3O+ and a molecular weight of 154.19 g/mol. Its IUPAC name is [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
PubChem CID143477267
Molecular FormulaC7H12N3O+
Molecular Weight154.19 g/mol
Exact Mass154.10
IUPAC Name[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
SMILES[H]/N=C(C(N)=O)/C(C)=C\C(C)=[NH2+]
InChIInChI=1S/C7H11N3O/c1-4(3-5(2)8)6(9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/p+1/b4-3-,8-5?,9-6-
InChIKeyDGZSSODGIJBSNJ-BQHTWGRVSA-O
XLogP-1.34
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-carboxy-1-iminopropan-2-ylidene)azanium
CID 170598716
1-[(E)-2-oxopent-3-enylidene]guanidine
CID 123227345
ethanimidamide;propan-2-one;titanium
CID 158445220
ethanimidamide;propan-2-one;vanadium
CID 159949516
acetamide;ethanimine;molecular hydrogen
CID 142839572
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
2-iminopropanediamide
CID 15168921
(E)-4-imino-2-methyl-6-phenylhex-2-enamide
CID 134354103
(Z)-4-iminopent-2-en-3-amine
CID 147180053
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
2-oxopropylideneurea
CID 154176026
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium?
The IUPAC name of [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium (CID 143477267) is [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium.
What is the SMILES notation for [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium?
The canonical SMILES for [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium is [H]/N=C(C(N)=O)/C(C)=C\C(C)=[NH2+].
What is the InChIKey of [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium?
The InChIKey is DGZSSODGIJBSNJ-BQHTWGRVSA-O. The full InChI is InChI=1S/C7H11N3O/c1-4(3-5(2)8)6(9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/p+1/b4-3-,8-5?,9-6-.
What are the key properties of [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium?
[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium has a molecular weight of 154.19 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium is sourced from PubChem (CID 143477267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).