(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride

C8H12ClNO — CID 87078087

IUPAC(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
SMILESCN1C[C@H]2CC[C@]1(C(=O)Cl)C2
InChIInChI=1S/C8H12ClNO/c1-10-5-6-2-3-8(10,4-6)7(9)11/h6H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyLMNQZHJSAMGJRU-POYBYMJQSA-N
MW173.64 g/mol
LogP1.24
Rot. Bonds1

About (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride

(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride (PubChem CID 87078087) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride.

Molecular Properties

Compound Name(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
PubChem CID87078087
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
SMILESCN1C[C@H]2CC[C@]1(C(=O)Cl)C2
InChIInChI=1S/C8H12ClNO/c1-10-5-6-2-3-8(10,4-6)7(9)11/h6H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyLMNQZHJSAMGJRU-POYBYMJQSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
CID 87078055
(1S,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 90453386
1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 70203947
(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 6939296
N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide
CID 169134276
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
bicyclo[2.2.1]heptane-1-carbonyl bromide
CID 21489193
2-pentan-2-ylbicyclo[2.2.2]octane-1-carbonyl chloride
CID 91111642
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 114996562
8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
CID 173494187
4-methyl-4-azaspiro[2.5]octan-6-ol
CID 166682646
bicyclo[3.2.2]nonane-1-carboxylic acid
CID 12757493

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The IUPAC name of (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride (CID 87078087) is (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride.
What is the SMILES notation for (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The canonical SMILES for (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride is CN1C[C@H]2CC[C@]1(C(=O)Cl)C2.
What is the InChIKey of (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The InChIKey is LMNQZHJSAMGJRU-POYBYMJQSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-10-5-6-2-3-8(10,4-6)7(9)11/h6H,2-5H2,1H3/t6-,8+/m0/s1.
What are the key properties of (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride has a molecular weight of 173.64 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride is sourced from PubChem (CID 87078087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).