(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide

C6H10N4O — CID 142449520

IUPAC(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C(N)/C(C(N)=O)=C(C)/C=N/[H]
InChIInChI=1S/C6H10N4O/c1-3(2-7)4(5(8)9)6(10)11/h2,7H,1H3,(H3,8,9)(H2,10,11)/b4-3-,7-2+
InChIKeyWRWKOQPCBPJYJX-HTQYPNKRSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds3

About (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide

(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide (PubChem CID 142449520) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
PubChem CID142449520
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C(N)/C(C(N)=O)=C(C)/C=N/[H]
InChIInChI=1S/C6H10N4O/c1-3(2-7)4(5(8)9)6(10)11/h2,7H,1H3,(H3,8,9)(H2,10,11)/b4-3-,7-2+
InChIKeyWRWKOQPCBPJYJX-HTQYPNKRSA-N
XLogP-0.63
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
CID 134240069
(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
CID 155582695
2-iminopropanimidamide
CID 174066114
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
CID 176553349
2,4-dioxopentanimidamide
CID 141143667
acetamide;ethanimine;molecular hydrogen
CID 142839572
methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate
CID 137224264
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235

Frequently Asked Questions

What is the IUPAC name of (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide?
The IUPAC name of (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide (CID 142449520) is (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide?
The canonical SMILES for (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide is [H]/N=C(N)/C(C(N)=O)=C(C)/C=N/[H].
What is the InChIKey of (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide?
The InChIKey is WRWKOQPCBPJYJX-HTQYPNKRSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3(2-7)4(5(8)9)6(10)11/h2,7H,1H3,(H3,8,9)(H2,10,11)/b4-3-,7-2+.
What are the key properties of (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide?
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide has a molecular weight of 154.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide is sourced from PubChem (CID 142449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).