N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

C12H15NO2 — CID 71390796

IUPACN-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCc1cc(C)c2c(c1)C(=NO)CC(C)O2
InChIInChI=1S/C12H15NO2/c1-7-4-8(2)12-10(5-7)11(13-14)6-9(3)15-12/h4-5,9,14H,6H2,1-3H3
InChIKeyCHMBHOQLMFQOJH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.65
Rot. Bonds

About N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 71390796) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID71390796
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCc1cc(C)c2c(c1)C(=NO)CC(C)O2
InChIInChI=1S/C12H15NO2/c1-7-4-8(2)12-10(5-7)11(13-14)6-9(3)15-12/h4-5,9,14H,6H2,1-3H3
InChIKeyCHMBHOQLMFQOJH-UHFFFAOYSA-N
XLogP2.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.65
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-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 71390796) is N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is Cc1cc(C)c2c(c1)C(=NO)CC(C)O2.
What is the InChIKey of N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is CHMBHOQLMFQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-8(2)12-10(5-7)11(13-14)6-9(3)15-12/h4-5,9,14H,6H2,1-3H3.
What are the key properties of N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 71390796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).