N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine

C10H7Cl2NO2 — CID 2739681

IUPACN-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
SMILESON=CC1=C(Cl)c2cc(Cl)ccc2OC1
InChIInChI=1S/C10H7Cl2NO2/c11-7-1-2-9-8(3-7)10(12)6(4-13-14)5-15-9/h1-4,14H,5H2
InChIKeySLPKISRAKPEEGH-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.14
Rot. Bonds1

About N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine

N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine (PubChem CID 2739681) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
PubChem CID2739681
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC NameN-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
SMILESON=CC1=C(Cl)c2cc(Cl)ccc2OC1
InChIInChI=1S/C10H7Cl2NO2/c11-7-1-2-9-8(3-7)10(12)6(4-13-14)5-15-9/h1-4,14H,5H2
InChIKeySLPKISRAKPEEGH-UHFFFAOYSA-N
XLogP3.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine (CID 2739681) is N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine is ON=CC1=C(Cl)c2cc(Cl)ccc2OC1.
What is the InChIKey of N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine?
The InChIKey is SLPKISRAKPEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-7-1-2-9-8(3-7)10(12)6(4-13-14)5-15-9/h1-4,14H,5H2.
What are the key properties of N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine?
N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine has a molecular weight of 244.08 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 2739681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).