2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine

C11H14N4O3 — CID 9057956

IUPAC2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine
SMILESCOc1cc(/C=N\N=C(N)N)cc2c1OCCO2
InChIInChI=1S/C11H14N4O3/c1-16-8-4-7(6-14-15-11(12)13)5-9-10(8)18-3-2-17-9/h4-6H,2-3H2,1H3,(H4,12,13,15)/b14-6-
InChIKeyLQZQWAMFMBYKBG-NSIKDUERSA-N
MW250.26 g/mol
LogP0.07
Rot. Bonds3

About 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine

2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine (PubChem CID 9057956) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine
PubChem CID9057956
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine
SMILESCOc1cc(/C=N\N=C(N)N)cc2c1OCCO2
InChIInChI=1S/C11H14N4O3/c1-16-8-4-7(6-14-15-11(12)13)5-9-10(8)18-3-2-17-9/h4-6H,2-3H2,1H3,(H4,12,13,15)/b14-6-
InChIKeyLQZQWAMFMBYKBG-NSIKDUERSA-N
XLogP0.07
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]guanidine
CID 73146438
3,4-dimethoxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9232627
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylprop-2-enal
CID 79330785
4-hydroxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9072934
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoic acid
CID 4962069
7-[(E)-but-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 142599018
4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-en-1-amine
CID 76997020
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,2-dimethylprop-2-en-1-amine
CID 79340671
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]methylideneamino]guanidine
CID 168591125

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine (CID 9057956) is 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine is COc1cc(/C=N\N=C(N)N)cc2c1OCCO2.
What is the InChIKey of 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine?
The InChIKey is LQZQWAMFMBYKBG-NSIKDUERSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-16-8-4-7(6-14-15-11(12)13)5-9-10(8)18-3-2-17-9/h4-6H,2-3H2,1H3,(H4,12,13,15)/b14-6-.
What are the key properties of 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine?
2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine has a molecular weight of 250.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine is sourced from PubChem (CID 9057956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).