N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine

C10H8ClNO2 — CID 88825428

IUPACN-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine
SMILESCc1coc2c(Cl)cccc2c1=NO
InChIInChI=1S/C10H8ClNO2/c1-6-5-14-10-7(9(6)12-13)3-2-4-8(10)11/h2-5,13H,1H3
InChIKeySMMBUSHYORRUFA-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.68
Rot. Bonds

About N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine

N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine (PubChem CID 88825428) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine
PubChem CID88825428
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC NameN-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine
SMILESCc1coc2c(Cl)cccc2c1=NO
InChIInChI=1S/C10H8ClNO2/c1-6-5-14-10-7(9(6)12-13)3-2-4-8(10)11/h2-5,13H,1H3
InChIKeySMMBUSHYORRUFA-UHFFFAOYSA-N
XLogP2.68
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine?
The IUPAC name of N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine (CID 88825428) is N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine is Cc1coc2c(Cl)cccc2c1=NO.
What is the InChIKey of N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine?
The InChIKey is SMMBUSHYORRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-5-14-10-7(9(6)12-13)3-2-4-8(10)11/h2-5,13H,1H3.
What are the key properties of N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine?
N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine has a molecular weight of 209.63 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 88825428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).