2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine

C16H13ClN4O — CID 5387668

IUPAC2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c2ccccc2c(Cl)c2ccccc12)NO
InChIInChI=1S/C16H13ClN4O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21-22)11-6-2-4-8-13(11)15/h1-9,22H,(H3,18,20,21)/b19-9+
InChIKeyFCVGMMMRBFYCTL-DJKKODMXSA-N
MW312.76 g/mol
LogP3.27
Rot. Bonds2

About 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine (PubChem CID 5387668) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine
PubChem CID5387668
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c2ccccc2c(Cl)c2ccccc12)NO
InChIInChI=1S/C16H13ClN4O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21-22)11-6-2-4-8-13(11)15/h1-9,22H,(H3,18,20,21)/b19-9+
InChIKeyFCVGMMMRBFYCTL-DJKKODMXSA-N
XLogP3.27
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine (CID 5387668) is 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine is N/C(=N/N=C/c1c2ccccc2c(Cl)c2ccccc12)NO.
What is the InChIKey of 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is FCVGMMMRBFYCTL-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21-22)11-6-2-4-8-13(11)15/h1-9,22H,(H3,18,20,21)/b19-9+.
What are the key properties of 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 312.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 5387668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).