N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

C15H21N2O+ — CID 3847818

IUPACN-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESCC12CCC(C([n+]3ccccc3)C1=NO)C2(C)C
InChIInChI=1S/C15H20N2O/c1-14(2)11-7-8-15(14,3)13(16-18)12(11)17-9-5-4-6-10-17/h4-6,9-12H,7-8H2,1-3H3/p+1
InChIKeyGOJSQMBDTXKYPT-UHFFFAOYSA-O
MW245.35 g/mol
LogP2.80
Rot. Bonds1

About N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (PubChem CID 3847818) has the molecular formula C15H21N2O+ and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
PubChem CID3847818
Molecular FormulaC15H21N2O+
Molecular Weight245.35 g/mol
Exact Mass245.16
IUPAC NameN-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESCC12CCC(C([n+]3ccccc3)C1=NO)C2(C)C
InChIInChI=1S/C15H20N2O/c1-14(2)11-7-8-15(14,3)13(16-18)12(11)17-9-5-4-6-10-17/h4-6,9-12H,7-8H2,1-3H3/p+1
InChIKeyGOJSQMBDTXKYPT-UHFFFAOYSA-O
XLogP2.80
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 2750642
(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 6370104
[(1S,2S,3E,4R)-3-hydroxyimino-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] selenohypobromite
CID 10903459
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
(1R,3S,4S)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98103353
(1S,3S,4S,5R)-4-hydroxy-3-[[(1S,3R,4S,5R)-4-hydroxy-1,8,8-trimethyl-2-oxo-3-bicyclo[3.2.1]octanyl]-phenylmethyl]-1,8,8-trimethylbicyclo[3.2.1]octan-2-one
CID 124767836
N-[(8R,9S,10R,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 71366929
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
2-oxo-2-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98055508
2-oxo-2-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 51605286
(NZ)-N-[(1S,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]oct-3-enylidene]hydroxylamine
CID 7159542

Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The IUPAC name of N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (CID 3847818) is N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.
What is the SMILES notation for N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The canonical SMILES for N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is CC12CCC(C([n+]3ccccc3)C1=NO)C2(C)C.
What is the InChIKey of N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The InChIKey is GOJSQMBDTXKYPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O/c1-14(2)11-7-8-15(14,3)13(16-18)12(11)17-9-5-4-6-10-17/h4-6,9-12H,7-8H2,1-3H3/p+1.
What are the key properties of N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine has a molecular weight of 245.35 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is sourced from PubChem (CID 3847818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).