N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine

C14H16N2O — CID 88731339

IUPACN-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
SMILESON=C1CCC2=C1CC1CNC3=CCCC2=C31
InChIInChI=1S/C14H16N2O/c17-16-12-5-4-9-10-2-1-3-13-14(10)8(7-15-13)6-11(9)12/h3,8,15,17H,1-2,4-7H2
InChIKeyBQAFFOIAJNPZQU-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.50
Rot. Bonds

About N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine

N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine (PubChem CID 88731339) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
PubChem CID88731339
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
SMILESON=C1CCC2=C1CC1CNC3=CCCC2=C31
InChIInChI=1S/C14H16N2O/c17-16-12-5-4-9-10-2-1-3-13-14(10)8(7-15-13)6-11(9)12/h3,8,15,17H,1-2,4-7H2
InChIKeyBQAFFOIAJNPZQU-UHFFFAOYSA-N
XLogP2.50
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
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-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The IUPAC name of N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine (CID 88731339) is N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine.
What is the SMILES notation for N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The canonical SMILES for N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine is ON=C1CCC2=C1CC1CNC3=CCCC2=C31.
What is the InChIKey of N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The InChIKey is BQAFFOIAJNPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-16-12-5-4-9-10-2-1-3-13-14(10)8(7-15-13)6-11(9)12/h3,8,15,17H,1-2,4-7H2.
What are the key properties of N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine has a molecular weight of 228.29 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine is sourced from PubChem (CID 88731339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).