N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine

C15H12N2O — CID 23335352

IUPACN-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine
SMILESC=C1c2cnccc2C=C(NO)c2ccccc21
InChIInChI=1S/C15H12N2O/c1-10-12-4-2-3-5-13(12)15(17-18)8-11-6-7-16-9-14(10)11/h2-9,17-18H,1H2
InChIKeyNKGMIAXBJCCACF-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.93
Rot. Bonds1

About N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine

N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine (PubChem CID 23335352) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine
PubChem CID23335352
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC NameN-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine
SMILESC=C1c2cnccc2C=C(NO)c2ccccc21
InChIInChI=1S/C15H12N2O/c1-10-12-4-2-3-5-13(12)15(17-18)8-11-6-7-16-9-14(10)11/h2-9,17-18H,1H2
InChIKeyNKGMIAXBJCCACF-UHFFFAOYSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine?
The IUPAC name of N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine (CID 23335352) is N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine.
What is the SMILES notation for N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine?
The canonical SMILES for N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine is C=C1c2cnccc2C=C(NO)c2ccccc21.
What is the InChIKey of N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine?
The InChIKey is NKGMIAXBJCCACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-12-4-2-3-5-13(12)15(17-18)8-11-6-7-16-9-14(10)11/h2-9,17-18H,1H2.
What are the key properties of N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine?
N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine has a molecular weight of 236.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidene-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl)hydroxylamine is sourced from PubChem (CID 23335352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).