N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C10H17NO — CID 45157399

IUPACN-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)C2CC[C@]1(C)C(=NO)C2
InChIInChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/t7?,10-/m1/s1
InChIKeyOVFDEGGJFJECAT-OMNKOJBGSA-N
MW167.25 g/mol
LogP2.66
Rot. Bonds

About N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 45157399) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID45157399
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)C2CC[C@]1(C)C(=NO)C2
InChIInChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/t7?,10-/m1/s1
InChIKeyOVFDEGGJFJECAT-OMNKOJBGSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.66
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'}

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Related Compounds

(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
CID 23308484
(NZ)-N-[(1R,4R,7R)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 7744961
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
CID 175694316
2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
CID 7059107
(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23309790
3-[(1S,2Z,4S,7S)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propanoic acid
CID 124853169
potassium (2E)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23670975
4-[C-methyl-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]carbonimidoyl]phenol
CID 154774222
2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 45157399) is N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CC1(C)C2CC[C@]1(C)C(=NO)C2.
What is the InChIKey of N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is OVFDEGGJFJECAT-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/t7?,10-/m1/s1.
What are the key properties of N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 45157399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).