(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

C10H11NO2 — CID 52983831

IUPAC(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCc1ccc2c(c1)/C(=N/O)CCO2
InChIInChI=1S/C10H11NO2/c1-7-2-3-10-8(6-7)9(11-12)4-5-13-10/h2-3,6,12H,4-5H2,1H3/b11-9+
InChIKeySXHWTCXHCVTRTA-PKNBQFBNSA-N
MW177.20 g/mol
LogP1.96
Rot. Bonds

About (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 52983831) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID52983831
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCc1ccc2c(c1)/C(=N/O)CCO2
InChIInChI=1S/C10H11NO2/c1-7-2-3-10-8(6-7)9(11-12)4-5-13-10/h2-3,6,12H,4-5H2,1H3/b11-9+
InChIKeySXHWTCXHCVTRTA-PKNBQFBNSA-N
XLogP1.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.96
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'}

Analyze (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 52983831) is (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is Cc1ccc2c(c1)/C(=N/O)CCO2.
What is the InChIKey of (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is SXHWTCXHCVTRTA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-2-3-10-8(6-7)9(11-12)4-5-13-10/h2-3,6,12H,4-5H2,1H3/b11-9+.
What are the key properties of (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 177.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 52983831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).