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

C7H13N3O — CID 176790767

IUPAC(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide
SMILES[H]/N=C(C)/C(C)=C(/CN)C(N)=O
InChIInChI=1S/C7H13N3O/c1-4(5(2)9)6(3-8)7(10)11/h9H,3,8H2,1-2H3,(H2,10,11)/b6-4-,9-5+
InChIKeyXLXYUZBGMWJLBS-QUNSIMLLSA-N
MW155.20 g/mol
LogP-0.21
Rot. Bonds3

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

(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide (PubChem CID 176790767) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide
PubChem CID176790767
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide
SMILES[H]/N=C(C)/C(C)=C(/CN)C(N)=O
InChIInChI=1S/C7H13N3O/c1-4(5(2)9)6(3-8)7(10)11/h9H,3,8H2,1-2H3,(H2,10,11)/b6-4-,9-5+
InChIKeyXLXYUZBGMWJLBS-QUNSIMLLSA-N
XLogP-0.21
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide?
The IUPAC name of (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide (CID 176790767) is (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide.
What is the SMILES notation for (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide?
The canonical SMILES for (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide is [H]/N=C(C)/C(C)=C(/CN)C(N)=O.
What is the InChIKey of (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide?
The InChIKey is XLXYUZBGMWJLBS-QUNSIMLLSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4(5(2)9)6(3-8)7(10)11/h9H,3,8H2,1-2H3,(H2,10,11)/b6-4-,9-5+.
What are the key properties of (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide?
(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide has a molecular weight of 155.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide is sourced from PubChem (CID 176790767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).