2,5-diimino-3-methylhex-3-enamide

C7H11N3O — CID 76603913

IUPAC2,5-diimino-3-methylhex-3-enamide
SMILES[H]/N=C(\C(N)=O)C(C)=C/C(C)=N/[H]
InChIInChI=1S/C7H11N3O/c1-4(3-5(2)8)6(9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/b4-3?,8-5+,9-6-
InChIKeyDGZSSODGIJBSNJ-JILKDKKASA-N
MW153.19 g/mol
LogP0.48
Rot. Bonds3

About 2,5-diimino-3-methylhex-3-enamide

2,5-diimino-3-methylhex-3-enamide (PubChem CID 76603913) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2,5-diimino-3-methylhex-3-enamide.

Molecular Properties

Compound Name2,5-diimino-3-methylhex-3-enamide
PubChem CID76603913
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2,5-diimino-3-methylhex-3-enamide
SMILES[H]/N=C(\C(N)=O)C(C)=C/C(C)=N/[H]
InChIInChI=1S/C7H11N3O/c1-4(3-5(2)8)6(9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/b4-3?,8-5+,9-6-
InChIKeyDGZSSODGIJBSNJ-JILKDKKASA-N
XLogP0.48
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-imino-4-(trifluoromethyl)hex-3-enamide
CID 87059360
(Z)-2,5-diimino-3-methylhex-3-enamide
CID 57781663
4,6-dimethyl-3H-pyridin-2-one
CID 58991507
(Z,2E)-2-ethylidene-3-iminohex-4-enamide
CID 90756731
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
(3Z)-2-imino-6-methylhepta-3,5-dienamide
CID 126540319
[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
CID 143477267
(Z)-4-imino-3-methylpent-2-enamide
CID 171525331
5-Methyl-2,3-dihydropyridine-6-carboxamide
CID 174951687

Frequently Asked Questions

What is the IUPAC name of 2,5-diimino-3-methylhex-3-enamide?
The IUPAC name of 2,5-diimino-3-methylhex-3-enamide (CID 76603913) is 2,5-diimino-3-methylhex-3-enamide.
What is the SMILES notation for 2,5-diimino-3-methylhex-3-enamide?
The canonical SMILES for 2,5-diimino-3-methylhex-3-enamide is [H]/N=C(\C(N)=O)C(C)=C/C(C)=N/[H].
What is the InChIKey of 2,5-diimino-3-methylhex-3-enamide?
The InChIKey is DGZSSODGIJBSNJ-JILKDKKASA-N. 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)/b4-3?,8-5+,9-6-.
What are the key properties of 2,5-diimino-3-methylhex-3-enamide?
2,5-diimino-3-methylhex-3-enamide has a molecular weight of 153.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diimino-3-methylhex-3-enamide is sourced from PubChem (CID 76603913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).