formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide

C10H17N3O4 — CID 175239439

IUPACformic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC=CC(CNN)(C(N)=O)C1.O=CO
InChIInChI=1S/C9H15N3O2.CH2O2/c1-14-7-3-2-4-9(5-7,6-12-11)8(10)13;2-1-3/h2-4,12H,5-6,11H2,1H3,(H2,10,13);1H,(H,2,3)
InChIKeyOWXUDCWWIUQTOK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.89
Rot. Bonds4

About formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide

formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide (PubChem CID 175239439) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Nameformic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide
PubChem CID175239439
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Nameformic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC=CC(CNN)(C(N)=O)C1.O=CO
InChIInChI=1S/C9H15N3O2.CH2O2/c1-14-7-3-2-4-9(5-7,6-12-11)8(10)13;2-1-3/h2-4,12H,5-6,11H2,1H3,(H2,10,13);1H,(H,2,3)
InChIKeyOWXUDCWWIUQTOK-UHFFFAOYSA-N
XLogP-0.89
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide (CID 175239439) is formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide is COC1=CC=CC(CNN)(C(N)=O)C1.O=CO.
What is the InChIKey of formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide?
The InChIKey is OWXUDCWWIUQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.CH2O2/c1-14-7-3-2-4-9(5-7,6-12-11)8(10)13;2-1-3/h2-4,12H,5-6,11H2,1H3,(H2,10,13);1H,(H,2,3).
What are the key properties of formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide?
formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-(hydrazinylmethyl)-5-methoxycyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 175239439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).