methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate

C7H11N3O2 — CID 166121414

IUPACmethyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate
SMILES[H]/N=C/C(=N\NC1CC1)C(=O)OC
InChIInChI=1S/C7H11N3O2/c1-12-7(11)6(4-8)10-9-5-2-3-5/h4-5,8-9H,2-3H2,1H3/b8-4+,10-6+
InChIKeyZYSZLDUVRKMHAF-GZFKCFCKSA-N
MW169.18 g/mol
LogP-0.08
Rot. Bonds4

About methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate

methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate (PubChem CID 166121414) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate
PubChem CID166121414
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate
SMILES[H]/N=C/C(=N\NC1CC1)C(=O)OC
InChIInChI=1S/C7H11N3O2/c1-12-7(11)6(4-8)10-9-5-2-3-5/h4-5,8-9H,2-3H2,1H3/b8-4+,10-6+
InChIKeyZYSZLDUVRKMHAF-GZFKCFCKSA-N
XLogP-0.08
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate?
The IUPAC name of methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate (CID 166121414) is methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate.
What is the SMILES notation for methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate?
The canonical SMILES for methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate is [H]/N=C/C(=N\NC1CC1)C(=O)OC.
What is the InChIKey of methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate?
The InChIKey is ZYSZLDUVRKMHAF-GZFKCFCKSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-7(11)6(4-8)10-9-5-2-3-5/h4-5,8-9H,2-3H2,1H3/b8-4+,10-6+.
What are the key properties of methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate?
methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate has a molecular weight of 169.18 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(cyclopropylhydrazinylidene)-3-iminopropanoate is sourced from PubChem (CID 166121414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).