(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide

C7H12N2O — CID 123276069

IUPAC(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide
SMILESCC=C/C(=C\C)C(N)=NO
InChIInChI=1S/C7H12N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H3,(H2,8,9)/b5-3?,6-4+
InChIKeyJXTAUSYVJFORLK-QEKUZXLOSA-N
MW140.19 g/mol
LogP1.26
Rot. Bonds2

About (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide

(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide (PubChem CID 123276069) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide
PubChem CID123276069
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide
SMILESCC=C/C(=C\C)C(N)=NO
InChIInChI=1S/C7H12N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H3,(H2,8,9)/b5-3?,6-4+
InChIKeyJXTAUSYVJFORLK-QEKUZXLOSA-N
XLogP1.26
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide?
The IUPAC name of (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide (CID 123276069) is (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide.
What is the SMILES notation for (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide?
The canonical SMILES for (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide is CC=C/C(=C\C)C(N)=NO.
What is the InChIKey of (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide?
The InChIKey is JXTAUSYVJFORLK-QEKUZXLOSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H3,(H2,8,9)/b5-3?,6-4+.
What are the key properties of (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide?
(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide has a molecular weight of 140.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N'-hydroxypent-3-enimidamide is sourced from PubChem (CID 123276069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).