(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate

C7H11N3O-2 — CID 145380520

IUPAC(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate
SMILES[H]/N=C([O-])/C(=C/C(C)=[N-])NCC
InChIInChI=1S/C7H12N3O/c1-3-10-6(7(9)11)4-5(2)8/h4,10H,3H2,1-2H3,(H2,9,11)/q-1/p-1/b6-4-
InChIKeyWQKUESDJIBZSDV-XQRVVYSFSA-M
MW153.19 g/mol
LogP-0.15
Rot. Bonds4

About (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate

(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate (PubChem CID 145380520) has the molecular formula C7H11N3O-2 and a molecular weight of 153.19 g/mol. Its IUPAC name is (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate.

Molecular Properties

Compound Name(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate
PubChem CID145380520
Molecular FormulaC7H11N3O-2
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate
SMILES[H]/N=C([O-])/C(=C/C(C)=[N-])NCC
InChIInChI=1S/C7H12N3O/c1-3-10-6(7(9)11)4-5(2)8/h4,10H,3H2,1-2H3,(H2,9,11)/q-1/p-1/b6-4-
InChIKeyWQKUESDJIBZSDV-XQRVVYSFSA-M
XLogP-0.15
TPSA81.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate?
The IUPAC name of (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate (CID 145380520) is (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate.
What is the SMILES notation for (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate?
The canonical SMILES for (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate is [H]/N=C([O-])/C(=C/C(C)=[N-])NCC.
What is the InChIKey of (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate?
The InChIKey is WQKUESDJIBZSDV-XQRVVYSFSA-M. The full InChI is InChI=1S/C7H12N3O/c1-3-10-6(7(9)11)4-5(2)8/h4,10H,3H2,1-2H3,(H2,9,11)/q-1/p-1/b6-4-.
What are the key properties of (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate?
(Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate has a molecular weight of 153.19 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-azanidylidene-2-(ethylamino)pent-2-enimidate is sourced from PubChem (CID 145380520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).