(Z)-4-imino-3-methylpent-2-enamide

C6H10N2O — CID 171525331

IUPAC(Z)-4-imino-3-methylpent-2-enamide
SMILES[H]/N=C(C)/C(C)=C\C(N)=O
InChIInChI=1S/C6H10N2O/c1-4(5(2)7)3-6(8)9/h3,7H,1-2H3,(H2,8,9)/b4-3-,7-5+
InChIKeyVXZQOKJOTZHDBU-QVXLNCAUSA-N
MW126.16 g/mol
LogP0.46
Rot. Bonds2

About (Z)-4-imino-3-methylpent-2-enamide

(Z)-4-imino-3-methylpent-2-enamide (PubChem CID 171525331) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-4-imino-3-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-3-methylpent-2-enamide
PubChem CID171525331
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-4-imino-3-methylpent-2-enamide
SMILES[H]/N=C(C)/C(C)=C\C(N)=O
InChIInChI=1S/C6H10N2O/c1-4(5(2)7)3-6(8)9/h3,7H,1-2H3,(H2,8,9)/b4-3-,7-5+
InChIKeyVXZQOKJOTZHDBU-QVXLNCAUSA-N
XLogP0.46
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-methylpent-2-enamide?
The IUPAC name of (Z)-4-imino-3-methylpent-2-enamide (CID 171525331) is (Z)-4-imino-3-methylpent-2-enamide.
What is the SMILES notation for (Z)-4-imino-3-methylpent-2-enamide?
The canonical SMILES for (Z)-4-imino-3-methylpent-2-enamide is [H]/N=C(C)/C(C)=C\C(N)=O.
What is the InChIKey of (Z)-4-imino-3-methylpent-2-enamide?
The InChIKey is VXZQOKJOTZHDBU-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(5(2)7)3-6(8)9/h3,7H,1-2H3,(H2,8,9)/b4-3-,7-5+.
What are the key properties of (Z)-4-imino-3-methylpent-2-enamide?
(Z)-4-imino-3-methylpent-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-methylpent-2-enamide is sourced from PubChem (CID 171525331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).